data_2cr3_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 2cr3 _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 ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -61.23 115.97 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -84.37 150.52 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -143.93 161.51 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.4 tm? -149.93 126.32 10.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' N ' HD11 ' A' ' 14' ' ' LEU . 35.0 m -147.89 -174.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.592 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -133.98 170.19 11.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.93 -6.65 4.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -89.51 -173.83 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.2 tp -110.75 107.78 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.7 tp -80.17 102.02 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -109.49 133.88 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.6 mt -128.62 163.46 25.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 12.7 ttm105 -139.56 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 t -112.82 124.47 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.9 mtp-105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 mt -143.94 142.13 24.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -125.0 112.3 16.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.452 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 66.2 m95 -87.12 131.56 34.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 41' ' ' VAL . 9.2 mt -131.17 165.1 24.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.543 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 28.3 ttp85 -153.59 115.34 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.05 25.2 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.42 43.13 6.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' C ' HD23 ' A' ' 37' ' ' LEU . 4.8 p -159.86 148.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.325 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.05 126.76 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -79.19 151.74 31.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.01 157.94 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.2 mt-10 -102.75 161.86 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 t -159.9 -179.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -40.39 -35.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -98.72 -55.23 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 m -67.84 141.11 56.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.9 tpt180 -145.41 113.88 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.461 ' CG1' ' HG2' ' A' ' 45' ' ' GLU . 51.2 mt -101.68 103.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.4 p -88.51 20.3 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 102.46 -67.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.34 1.99 13.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -137.4 123.38 20.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 57' ' ' GLU . 57.0 t -104.08 150.6 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 50' ' ' ARG . 34.7 tt0 -147.98 120.06 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.7 t -122.23 105.39 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.45 143.82 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.0 t70 55.0 42.2 31.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' ASP . 59.3 p -41.07 163.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.26 45.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.42 2.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.1 -17.07 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -91.58 -19.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.2 166.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.63 -159.14 28.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 tp -114.9 98.33 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 42.8 m-85 -78.86 142.2 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.72 117.09 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.6 p -99.98 125.63 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.71 119.24 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -99.43 128.46 45.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -148.27 137.14 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.541 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 1.4 m -130.06 119.75 23.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.17 156.29 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.541 ' CZ ' HG22 ' A' ' 82' ' ' THR . 12.4 m-85 -148.24 108.64 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -83.82 102.33 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 87' ' ' ASN . 38.1 t -98.12 153.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 105.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.79 119.35 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -162.39 143.57 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' SER . 9.2 tt0 -59.85 121.27 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.34 152.75 22.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.0 m-85 -147.66 156.26 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 2.0 tm? -144.94 127.99 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' CG2' ' CG2' ' A' ' 88' ' ' VAL . 35.8 m -148.19 -175.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -133.2 170.26 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.75 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.0 -12.22 4.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.68 -173.58 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.44 HD12 ' CG ' ' A' ' 57' ' ' GLU . 47.1 tp -112.03 109.69 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 tp -82.8 104.9 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -111.02 131.02 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.88 168.88 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -147.67 144.17 28.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.34 115.85 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.891 0.377 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 18.4 mt -140.82 141.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -124.18 106.94 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CD1' HG23 ' A' ' 51' ' ' ILE . 62.7 m95 -83.1 135.38 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt -136.07 161.05 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -149.22 113.37 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.3 25.59 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.38 41.92 7.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.7 p -159.6 143.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -51.07 128.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -79.55 147.47 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.34 154.32 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -100.91 155.27 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -151.03 -179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 47' ' ' ASN . 12.0 p-10 -42.66 -34.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -98.32 -55.51 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -65.83 139.07 58.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.4 tpt180 -143.9 108.76 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.517 HG23 ' CD1' ' A' ' 36' ' ' TRP . 48.3 mt -97.95 105.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -91.39 26.61 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 98.8 -68.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.3 pt-20 -118.71 8.59 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.35 117.4 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 69.9 t -103.12 140.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CG ' HD12 ' A' ' 20' ' ' LEU . 50.1 tt0 -138.71 118.02 12.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.3 t -118.15 108.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -74.11 143.25 45.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.7 t70 54.65 42.59 31.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ASP . 51.4 p -41.05 163.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.36 45.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.26 2.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.55 -19.14 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -88.14 -24.34 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -44.82 170.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 -163.66 28.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.9 tp -110.32 97.61 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -77.56 138.45 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.92 117.16 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -101.05 125.14 47.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 t -115.24 116.23 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -99.18 128.11 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.864 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 m -155.56 133.81 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.499 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -127.54 119.19 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -91.92 155.52 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.2 m-85 -147.66 106.11 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' PHE . 41.0 t -80.34 105.86 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.2 t -103.14 152.72 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.01 106.34 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.445 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 55.3 t -100.78 119.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -162.34 144.0 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 15.0 tt0 -59.39 113.35 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -83.97 146.25 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CE1' ' HG2' ' A' ' 11' ' ' GLU . 45.2 m-85 -140.67 167.26 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 2.8 tm? -156.22 128.07 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' CG2' ' CG2' ' A' ' 88' ' ' VAL . 29.9 m -149.23 -174.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.1 169.85 12.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.77 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.07 -11.41 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.76 -174.19 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 tp -111.27 107.72 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -80.6 107.62 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -113.42 131.52 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -125.72 169.27 12.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -147.07 142.5 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.28 115.34 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 mt -143.44 140.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -124.16 106.75 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.473 ' CZ2' HG21 ' A' ' 56' ' ' VAL . 69.0 m95 -81.15 134.73 35.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -133.32 162.22 32.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 31.3 ttp180 -152.02 114.02 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 63.22 25.9 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.21 43.54 7.01 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -160.43 148.9 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -58.47 125.94 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.42 153.54 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.69 159.17 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 3.5 mt-10 -103.33 162.17 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 t -160.02 -176.42 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -44.96 -37.49 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -96.02 -52.81 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 m -68.52 139.76 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.7 tpp180 -144.32 113.6 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 57.3 mt -105.44 110.08 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -91.17 7.37 41.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.2 -57.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -122.3 -3.06 8.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -134.55 122.7 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG21 ' CZ2' ' A' ' 36' ' ' TRP . 79.8 t -102.81 147.13 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 50' ' ' ARG . 35.5 tt0 -144.43 118.55 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 t -120.09 108.43 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -72.51 142.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.2 t70 53.42 44.79 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 60' ' ' ASP . 38.4 p -41.97 165.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.26 161.13 43.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.723 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.88 -17.53 14.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -90.02 -22.2 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.77 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.86 -152.48 24.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.19 96.77 5.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.6 m-85 -77.57 141.6 39.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.52 115.15 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.8 p -96.64 127.48 42.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.42 117.4 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -98.56 140.6 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 m -151.83 133.06 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.6 m -126.75 119.29 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -91.43 157.73 16.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -149.41 108.98 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.68 106.33 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.4 t -102.11 151.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -151.19 105.07 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.404 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 54.7 t -100.02 119.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -161.88 143.7 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.74 108.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -80.05 149.43 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.4 m-85 -141.09 171.97 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 1.5 tm? -158.43 125.32 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.462 ' N ' HD11 ' A' ' 14' ' ' LEU . 33.3 m -147.76 -175.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.33 169.85 12.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.71 93.36 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.97 -8.86 3.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -86.66 -174.43 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.8 tp -110.05 107.55 17.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -79.58 101.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -109.06 132.75 53.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -125.69 174.65 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -151.69 140.88 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.2 t -114.63 115.19 26.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 HD11 ' C ' ' A' ' 53' ' ' GLY . 13.0 mt -139.96 140.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -125.54 105.01 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.499 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 70.2 m95 -78.98 137.37 37.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -135.21 162.08 33.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 21.4 ttp85 -151.4 113.61 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.61 25.76 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.74 43.32 6.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 p -160.74 147.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -55.87 128.4 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.3 tp -79.96 146.3 32.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.17 152.83 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -97.74 157.8 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -153.67 178.98 9.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -38.93 -35.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -100.31 -54.09 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 m -65.74 138.61 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLU . 11.6 tpt180 -143.38 114.38 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.499 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 49.5 mt -105.42 102.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.9 p -83.59 13.1 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' C ' HD11 ' A' ' 34' ' ' ILE . . . 106.88 -61.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.19 -2.45 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -135.94 126.57 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG21 ' CZ2' ' A' ' 36' ' ' TRP . 74.7 t -105.09 145.42 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 50' ' ' ARG . 35.5 tt0 -144.09 118.97 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.9 t -121.34 111.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -74.74 144.19 43.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.9 t70 52.74 44.11 30.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' ASP . 53.3 p -41.44 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -144.46 160.81 46.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.135 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.37 2.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.68 -18.48 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 67.0 m-20 -89.35 -20.22 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -50.61 176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.41 -156.41 26.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.7 tp -117.58 95.35 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.524 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 51.2 m-85 -76.42 138.65 40.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.64 117.44 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.3 p -98.66 126.15 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -114.18 117.45 55.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -104.39 129.54 52.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -151.29 135.39 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.552 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 2.3 m -130.29 117.99 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -89.62 159.18 17.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 82' ' ' THR . 16.7 m-85 -150.79 106.85 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.7 t -80.4 107.48 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.33 150.28 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -150.24 105.39 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.441 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 46.9 t -100.87 117.29 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -161.23 138.17 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.795 0.331 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.83 111.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -80.32 149.41 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' SER . 30.1 m-85 -144.93 161.58 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.478 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.3 tm? -151.92 128.48 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.432 ' N ' HD11 ' A' ' 14' ' ' LEU . 27.7 m -148.91 -174.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.574 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.76 170.34 11.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.78 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.33 -8.08 4.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.87 -174.51 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -110.56 107.12 16.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -80.73 105.33 11.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -112.58 137.0 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.67 173.47 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -149.38 145.81 27.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.7 t -118.06 124.82 49.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.4 mt -136.53 140.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -122.96 104.64 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.578 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 70.5 m95 -78.87 134.63 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.41 162.78 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 27.1 ttp85 -152.25 115.2 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.9 26.29 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.58 43.76 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -162.69 144.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.6 129.75 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.3 tp -79.38 152.89 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.61 154.88 47.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.8 158.62 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.5 p -154.37 -179.73 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -43.72 -32.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.3 mtt-85 -100.4 -54.4 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.6 m -64.86 143.1 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -146.37 110.53 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.578 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 51.0 mt -100.77 102.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.5 p -84.92 15.03 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.1 -59.03 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -119.23 2.13 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.02 125.39 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 ' CE2' ' A' ' 36' ' ' TRP . 76.5 t -107.21 136.03 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -137.58 116.4 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -118.58 117.72 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.5 mt-30 -79.12 153.51 30.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 46.0 41.54 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.2 p -38.51 158.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.474 ' CA ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -142.3 161.84 48.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 1.52 4.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.388 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.18 -21.75 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.71 -21.87 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -52.11 173.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.67 -152.76 24.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.434 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.82 98.53 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.9 m-85 -78.75 147.51 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.68 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.7 p -94.93 126.28 40.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -114.49 117.24 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 p -100.18 131.72 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -147.79 127.71 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.571 HG23 ' CZ ' ' A' ' 84' ' ' PHE . 1.8 m -120.85 118.66 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -91.0 159.52 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 82' ' ' THR . 10.0 m-85 -151.22 106.51 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.3 t -80.14 103.44 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.86 146.58 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -146.96 106.61 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.474 HG13 ' CA ' ' A' ' 62' ' ' VAL . 35.3 t -101.12 119.4 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -163.29 138.03 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -60.65 119.28 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -88.13 148.76 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 41.3 m-85 -141.89 169.15 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.5 tm? -157.88 129.92 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 88' ' ' VAL . 29.6 m -151.27 -175.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.79 170.16 12.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.7 96.0 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.48 -10.26 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -84.2 -173.78 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 tp -111.7 106.2 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.97 108.5 12.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -115.01 126.39 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.34 160.69 26.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 13.5 ttp85 -136.79 135.63 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.1 t -97.28 145.71 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 mt -141.79 143.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.0 t30 -131.4 103.28 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' HG22 ' A' ' 51' ' ' ILE . 77.5 m95 -75.95 141.75 42.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' C ' ' A' ' 41' ' ' VAL . 8.4 mt -142.13 159.77 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -148.15 117.77 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.05 25.02 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 48.19 5.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.422 ' C ' HD21 ' A' ' 37' ' ' LEU . 5.6 p -166.22 148.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.74 128.33 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 tp -77.54 148.9 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.37 148.31 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.2 mt-10 -98.73 159.96 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ARG . 88.7 p -159.96 174.86 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' SER . 15.2 m-20 -35.37 -34.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 83.5 mtm-85 -96.36 -61.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.8 m -64.03 141.29 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.4 tpt180 -144.3 108.21 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.544 HG22 ' CD1' ' A' ' 36' ' ' TRP . 49.1 mt -99.75 103.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -87.94 21.38 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 101.39 -67.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.18 11.13 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -146.49 129.3 16.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG21 ' CZ2' ' A' ' 36' ' ' TRP . 90.7 t -111.67 139.9 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 50' ' ' ARG . 55.8 tt0 -139.14 117.46 11.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.85 110.52 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -75.92 140.69 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.4 t70 58.28 43.53 20.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' ASP . 60.4 p -41.23 163.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.422 ' CA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -144.54 161.01 45.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 3.58 2.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.29 -26.88 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.94 -28.41 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -46.64 172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.77 -149.57 21.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.5 97.37 5.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.4 145.42 35.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.19 115.94 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.7 p -98.0 126.66 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ASN . 5.2 t -114.24 117.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -102.87 130.9 50.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -160.46 129.17 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -123.69 116.02 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -88.28 158.66 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.552 ' CZ ' HG22 ' A' ' 82' ' ' THR . 27.5 m-85 -151.15 106.44 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' PHE . 6.6 t -78.64 109.57 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.43 151.58 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.64 105.12 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 15' ' ' VAL . 51.2 t -100.52 117.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.4 t -159.78 143.4 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.781 0.324 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.21 114.36 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -81.78 150.11 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 47.4 m-85 -142.95 169.56 17.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.4 tm? -158.26 132.98 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG22 ' CG2' ' A' ' 88' ' ' VAL . 30.6 m -155.93 -174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.13 170.18 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.2 Cg_endo -69.71 96.78 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.68 -15.53 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.35 -174.54 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 57' ' ' GLU . 59.3 tp -110.39 114.68 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -85.47 105.47 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -109.18 138.9 44.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -135.05 162.54 32.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.6 ttm180 -138.57 140.42 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -112.84 125.5 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 27.7 mt -138.25 142.97 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.474 ' ND2' HE22 ' A' ' 42' ' ' GLN . 2.9 t30 -124.38 108.61 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.564 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.6 m95 -82.74 130.37 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -128.54 166.64 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 24.1 ttp85 -155.34 115.3 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 63.35 25.34 14.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.92 43.45 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.59 152.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.474 HE22 ' ND2' ' A' ' 35' ' ' ASN . 2.1 tp60 -57.23 133.32 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 tp -88.24 147.61 24.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.08 153.77 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -97.76 165.5 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' ARG . 1.2 t -161.28 174.54 13.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.3 m120 -36.11 -31.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' SER . 82.4 mtm180 -100.86 -59.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.8 m -62.79 136.81 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -139.14 109.32 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.564 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.4 mt -100.31 102.69 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -86.4 12.84 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 109.5 -63.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt-20 -119.69 4.05 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -139.25 118.88 13.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.9 t -98.4 148.53 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.6 tt0 -148.17 109.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.9 t -112.96 110.63 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -74.94 145.34 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.8 t70 54.37 41.31 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 60' ' ' ASP . 53.8 p -40.16 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.67 161.22 44.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.096 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.8 -18.57 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 59.8 m-20 -90.33 -23.19 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -47.92 174.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.98 -156.17 26.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 tp -116.71 99.87 7.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.1 m-85 -81.17 145.55 30.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.59 116.76 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.2 p -97.67 126.86 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.29 119.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -102.65 129.63 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.851 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.9 m -150.8 134.21 16.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.4 m -127.16 119.99 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.405 ' C ' ' CG ' ' A' ' 84' ' ' PHE . 3.0 m-85 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 82' ' ' THR . 16.8 m-85 -156.7 107.27 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.5 t -83.65 104.88 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.39 151.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.15 105.06 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.419 ' CG2' HG22 ' A' ' 15' ' ' VAL . 25.9 t -100.98 118.24 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 140.6 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 11.4 tt0 -61.44 113.37 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -83.0 147.68 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.407 ' CE1' ' HG2' ' A' ' 11' ' ' GLU . 42.8 m-85 -143.67 160.88 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -150.8 124.12 8.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.443 ' N ' HD11 ' A' ' 14' ' ' LEU . 34.3 m -144.85 -175.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.468 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.6 169.27 14.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 90.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -9.27 2.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.21 -174.79 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.1 tp -109.83 107.37 17.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.8 tp -78.54 102.27 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -107.6 133.24 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.5 mt -129.18 166.88 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 26.7 ttp180 -142.98 142.87 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' GLU . 54.0 t -115.5 124.5 51.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 35' ' ' ASN . 13.5 mt -138.55 149.09 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.9 t30 -132.22 101.84 5.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.461 ' NE1' ' O ' ' A' ' 53' ' ' GLY . 66.4 m95 -78.62 133.35 37.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 41' ' ' VAL . 8.8 mt -133.68 161.36 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 37.6 ttp180 -151.99 116.41 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.61 25.46 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.44 7.33 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' C ' HD22 ' A' ' 37' ' ' LEU . 9.8 p -163.15 152.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -56.78 136.08 55.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -87.35 152.13 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.01 148.66 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.463 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.4 mt-10 -99.61 158.43 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -158.78 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -39.82 -35.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -97.33 -61.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.9 m -65.72 137.4 57.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.4 tpt180 -141.37 111.04 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CG1' ' HG2' ' A' ' 45' ' ' GLU . 53.5 mt -97.38 99.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -82.86 17.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 102.21 -70.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' CYS . 3.8 pt-20 -106.97 -7.78 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -130.94 139.68 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 57' ' ' GLU . 85.3 t -117.24 141.93 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 50' ' ' ARG . 29.4 tt0 -139.43 119.18 13.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 t -120.97 108.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -72.91 146.78 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.5 t70 51.29 42.37 28.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 60' ' ' ASP . 60.2 p -41.02 163.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.38 161.43 44.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.612 0.72 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 1.49 4.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.62 -23.0 14.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.01 -20.85 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -50.08 174.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.8 -163.57 27.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.3 tp -109.98 98.54 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.5 m-85 -77.57 147.97 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.07 111.78 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -95.6 124.9 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 35' ' ' ASN . 38.5 t -115.26 122.42 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 p -101.92 129.21 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 6.6 m -149.38 124.29 9.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.571 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 2.1 m -120.45 121.84 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.57 157.95 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CZ ' HG22 ' A' ' 82' ' ' THR . 10.4 m-85 -149.88 110.97 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 t -84.72 102.17 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -100.41 150.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -150.06 106.11 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.9 t -100.08 119.98 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -163.82 138.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.43 119.56 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -89.28 146.29 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -140.28 167.51 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 ' N ' HD11 ' A' ' 14' ' ' LEU . 31.5 m -143.23 -174.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.51 169.65 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.2 Cg_endo -69.78 99.0 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.7 -8.6 6.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -86.0 -174.1 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.9 tp -111.26 106.66 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.74 109.58 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.4 134.57 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -127.5 173.89 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.6 ttm105 -152.76 139.97 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.52 116.78 27.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mt -139.87 142.43 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -126.14 106.88 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' HG23 ' A' ' 51' ' ' ILE . 68.4 m95 -80.74 134.47 35.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -132.36 157.33 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.538 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 29.7 ttp180 -146.71 114.27 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.04 25.55 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.29 50.56 4.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -170.22 148.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 111.14 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 129.25 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 tp -78.77 157.48 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.82 153.08 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.041 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.39 160.58 14.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.17 -178.14 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.07 -23.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -108.74 -58.3 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.6 m -65.34 136.05 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.1 tpt180 -137.91 110.12 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.6 mt -99.84 103.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -89.24 19.7 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.41 -67.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -116.18 -1.74 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -132.37 119.86 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' A' ' 36' ' ' TRP . 82.1 t -102.47 140.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' ARG . 37.8 tt0 -139.16 115.22 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.3 t -117.3 113.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -78.4 146.54 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t70 54.34 39.6 31.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.0 p -39.05 159.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.85 161.79 44.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -19.4 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.8 -25.55 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -45.42 169.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.13 -164.23 28.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.77 95.31 5.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.538 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.7 m-85 -77.86 137.57 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.65 121.46 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.7 p -101.97 125.11 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.5 t -114.9 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -100.99 128.47 47.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.851 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -158.49 129.87 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -124.59 118.11 25.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.64 155.6 19.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -147.58 108.14 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -79.95 107.25 12.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.53 146.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -146.51 105.66 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 50.5 t -99.95 120.7 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -164.55 145.04 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.36 116.04 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -86.0 146.2 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.8 m-85 -142.47 159.96 41.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 tm? -149.88 128.73 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.453 ' CG2' ' CG2' ' A' ' 88' ' ' VAL . 35.0 m -149.13 -174.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.573 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.32 170.49 11.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.8 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.03 -7.85 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -85.97 -175.38 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 tp -109.95 108.5 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.48 109.87 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -118.33 125.35 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.84 175.2 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 21.6 ttt-85 -150.54 142.69 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.5 t -118.59 122.36 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 16.7 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 35' ' ' ASN . 29.1 mt -140.51 142.14 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 34' ' ' ILE . 3.3 t30 -123.95 110.77 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.547 ' CD1' HG22 ' A' ' 51' ' ' ILE . 66.7 m95 -85.25 133.2 34.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -132.8 164.48 26.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 33.2 ttp180 -152.74 116.47 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.3 27.3 16.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.15 7.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 p -163.14 146.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.313 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.57 133.45 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.7 tp -86.62 148.86 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.35 151.98 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.047 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.8 mt-10 -98.29 154.36 17.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ARG . 99.2 p -151.51 173.92 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 29.2 t-20 -34.45 -32.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' SER . 68.1 mtm-85 -99.82 -60.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 m -63.46 143.59 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.4 tpt180 -146.56 119.51 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.547 HG22 ' CD1' ' A' ' 36' ' ' TRP . 61.1 mt -107.82 103.7 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -87.87 12.98 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.88 -67.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.57 1.11 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -136.41 123.87 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.53 143.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' ARG . 51.2 tt0 -142.39 118.06 10.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -121.98 116.04 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -78.98 147.58 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.5 t70 50.12 43.66 25.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ASP . 65.5 p -39.78 161.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.58 161.48 49.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -24.19 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -84.95 -22.37 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -50.43 177.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.67 -157.81 24.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.8 tp -113.94 101.29 9.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.468 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 17.7 m-85 -81.81 144.44 31.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.8 118.38 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.4 p -100.92 125.57 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.2 119.91 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.92 0.391 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -151.41 138.89 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.552 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.2 m -131.38 121.47 24.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -93.43 156.2 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 82' ' ' THR . 12.4 m-85 -148.58 107.35 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t -79.38 109.32 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.63 148.23 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -148.3 105.01 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -101.0 115.68 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -158.27 142.55 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.45 113.76 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.54 147.8 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' SER . 37.8 m-85 -142.46 161.35 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -150.94 127.89 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.437 ' N ' HD12 ' A' ' 14' ' ' LEU . 32.3 m -149.43 -175.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.558 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.92 169.72 12.99 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.8 -12.92 4.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.56 -174.06 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.1 tp -111.24 106.35 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.3 tp -78.85 108.48 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -114.93 135.41 54.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -131.85 172.31 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttp-105 -152.48 142.76 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.83 126.71 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.887 0.375 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.3 mt -140.24 140.39 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 t30 -127.81 102.92 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.565 ' CD1' HG21 ' A' ' 51' ' ' ILE . 69.7 m95 -79.11 137.89 37.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -136.22 163.82 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.522 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 31.8 ttp85 -152.43 115.27 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.39 26.4 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.66 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.8 p -162.82 147.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -55.27 128.18 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.87 148.27 28.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.56 166.53 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -108.45 162.55 14.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 t -159.55 175.3 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -39.46 -31.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -99.28 -55.87 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.4 m -68.9 139.01 55.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.9 tpt180 -141.67 109.2 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 36' ' ' TRP . 57.9 mt -100.68 105.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -86.15 17.28 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.87 -63.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.28 5.91 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.39 122.49 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.9 t -102.52 134.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' ARG . 30.9 tt0 -136.01 116.56 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -118.59 118.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -80.15 141.42 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.7 t70 55.0 45.01 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 60' ' ' ASP . 53.5 p -40.44 162.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.55 161.59 43.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.152 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 -24.23 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 73.9 m-20 -85.1 -23.23 28.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -49.84 176.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.19 -154.73 25.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 tp -116.88 95.45 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.522 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.3 m-85 -75.79 139.45 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.92 116.79 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -99.84 126.61 45.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 35' ' ' ASN . 17.2 t -117.42 118.82 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -104.66 133.17 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 m -152.19 129.27 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.3 m -123.15 120.12 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -92.23 156.9 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 82' ' ' THR . 13.9 m-85 -150.2 106.13 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -79.61 108.41 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.87 141.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -140.25 105.25 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.2 t -100.14 115.94 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -160.31 139.77 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.6 113.04 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 t -82.9 150.08 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.3 m-85 -141.32 174.08 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -162.68 124.04 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' CG2' ' CG2' ' A' ' 88' ' ' VAL . 33.2 m -146.68 -174.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.495 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -134.03 170.36 11.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 94.8 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.51 -6.89 4.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.87 -174.11 4.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 HD12 ' CG ' ' A' ' 57' ' ' GLU . 45.1 tp -111.05 107.61 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -80.12 102.74 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -108.69 128.54 54.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.36 164.6 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 44.9 ttt180 -141.55 144.67 34.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.1 t -120.35 116.06 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD13 ' C ' ' A' ' 53' ' ' GLY . 6.6 mt -139.61 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.5 t30 -130.18 101.86 5.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 65.0 m95 -78.11 137.53 38.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 41' ' ' VAL . 9.0 mt -135.39 160.66 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 30.7 ttp180 -151.15 115.0 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.24 25.87 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.52 44.63 7.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' C ' HD22 ' A' ' 37' ' ' LEU . 7.4 p -163.59 153.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.34 133.29 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.43 155.87 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.49 152.49 51.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.7 mt-10 -99.82 157.78 16.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -157.18 -178.16 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -42.79 -35.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -96.51 -56.53 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 m -67.42 135.41 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.8 tpt180 -140.56 106.23 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 36.1 mt -95.66 105.61 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.1 p -93.14 30.35 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 97.54 -69.73 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -118.8 6.61 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -137.55 117.45 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.4 t -103.16 141.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ARG . 28.5 tt0 -138.86 117.21 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.0 t -117.39 108.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -74.4 142.05 45.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.9 t0 56.38 42.72 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ASP . 51.8 p -41.59 164.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.28 161.17 45.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.32 2.86 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.677 2.252 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.99 -21.17 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.31 -21.1 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -47.91 174.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.54 -163.7 27.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.0 tp -110.24 95.26 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.452 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.0 m-85 -74.86 137.51 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.11 117.16 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -99.11 125.59 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 35' ' ' ASN . 13.0 t -113.98 119.08 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.4 p -105.09 132.45 51.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -146.72 129.87 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.539 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.5 m -122.81 121.27 35.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.12 155.46 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 82' ' ' THR . 14.0 m-85 -148.33 109.5 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.4 t -81.69 107.44 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.9 t -105.03 148.56 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.67 108.41 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 47.0 t -102.09 118.76 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -156.39 140.55 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 17' ' ' PRO . 9.9 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.796 0.331 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.79 113.34 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -83.97 150.82 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.5 m-85 -143.61 167.0 23.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 2.5 tm? -156.65 127.25 6.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.8 m -149.11 -175.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.472 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -130.63 169.58 13.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.627 0.727 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.71 91.69 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.58 -7.04 3.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.42 -175.5 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -108.97 108.67 19.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.02 108.14 13.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.51 174.76 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 14.1 ttp-105 -150.63 142.99 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -116.21 125.77 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mtp85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 35' ' ' ASN . 13.3 mt -139.02 146.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.4 t30 -128.84 108.78 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.9 m95 -83.89 132.68 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 HD22 ' C ' ' A' ' 41' ' ' VAL . 9.5 mt -132.28 161.96 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 39.5 ttp180 -151.2 117.45 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.77 25.81 15.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 47.47 5.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' C ' HD22 ' A' ' 37' ' ' LEU . 5.2 p -166.19 147.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -53.06 132.43 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 tp -84.26 148.59 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.48 149.76 49.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.3 mt-10 -99.63 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.8 p -161.85 -179.75 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -39.76 -33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -98.12 -60.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.3 m -66.74 138.25 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tpt180 -141.28 111.01 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.555 HG22 ' CD1' ' A' ' 36' ' ' TRP . 57.3 mt -98.58 101.85 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.3 p -85.34 16.33 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.33 -64.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.08 -0.0 11.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -135.77 120.11 17.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.559 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 76.1 t -99.08 138.81 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.106 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 50' ' ' ARG . 42.2 tt0 -137.49 116.24 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.9 t -120.9 115.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -80.26 147.91 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 1.7 t70 53.44 38.24 27.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 73.8 p -37.83 157.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.03 162.17 49.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.53 2.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.63 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -83.53 -24.08 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -49.17 172.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 -156.15 26.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.8 tp -114.18 98.75 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.421 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 28.1 m-85 -79.07 142.09 36.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.64 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.76 126.69 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' ASN . 12.1 t -117.98 122.56 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.9 p -104.18 134.57 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.7 m -150.55 131.55 14.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.565 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.9 m -124.96 123.63 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -94.04 159.43 15.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 82' ' ' THR . 11.9 m-85 -151.37 109.13 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.7 t -82.48 108.29 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.6 t -106.14 149.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -148.27 105.04 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.67 119.62 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -163.87 143.85 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.71 107.47 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -77.59 144.65 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -137.55 171.92 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.4 tm? -160.0 128.51 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.44 ' N ' HD11 ' A' ' 14' ' ' LEU . 35.5 m -149.92 -175.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.53 170.01 12.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.3 Cg_endo -69.74 95.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.2 -7.53 5.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.28 -175.25 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 tp -109.45 109.15 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HG11 ' A' ' 86' ' ' VAL . 63.0 tp -83.76 104.05 13.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -111.22 129.25 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.67 169.67 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -147.39 138.37 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.7 t -111.6 116.78 31.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.401 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 53' ' ' GLY . 9.6 mt -144.09 142.49 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -127.23 111.52 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.552 ' CD1' HG22 ' A' ' 51' ' ' ILE . 67.4 m95 -87.96 134.9 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -135.26 160.57 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 24.2 ttp85 -150.88 115.29 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.07 25.17 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 47.75 5.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.8 p -166.35 147.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.38 125.86 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.7 tp -75.14 150.08 38.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.98 152.78 48.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.4 mt-10 -100.25 157.04 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -154.34 -179.96 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -39.47 -35.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -98.22 -59.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.1 m -65.48 135.46 55.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.0 tpt180 -140.17 107.77 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.552 HG22 ' CD1' ' A' ' 36' ' ' TRP . 42.4 mt -96.47 102.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.4 p -85.08 15.48 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 107.79 -65.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -113.52 -3.6 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -132.2 130.41 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 69.3 t -112.85 126.26 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ARG . 43.3 tt0 -125.82 118.56 25.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.15 114.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -79.84 141.4 36.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 t0 58.53 40.25 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -38.81 159.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.21 161.54 50.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.63 2.67 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.59 -24.57 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -83.13 -22.52 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.9 p -51.45 173.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.48 -145.09 13.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -125.03 100.83 6.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.508 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.2 m-85 -82.72 141.01 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.5 111.67 7.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.6 p -96.52 127.43 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -118.48 119.2 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 p -102.52 130.21 49.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.847 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.7 m -156.03 134.2 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.54 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 2.2 m -127.76 122.93 34.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -93.48 160.73 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 82' ' ' THR . 12.7 m-85 -154.06 106.0 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -78.63 106.85 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 87' ' ' ASN . 87.7 t -102.63 141.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.479 ' N ' HG13 ' A' ' 86' ' ' VAL . 9.1 t30 -143.27 105.47 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 40.0 t -100.76 118.94 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -162.51 139.02 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.23 115.58 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -83.36 147.75 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -142.03 167.11 22.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.8 tm? -155.17 126.25 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 14' ' ' LEU . 26.8 m -147.61 -174.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.27 170.19 11.97 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.6 Cg_endo -69.73 92.23 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.28 -9.57 3.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.97 -174.54 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD22 ' NE2' ' A' ' 22' ' ' GLN . 35.9 tp -110.1 108.22 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.5 tp -81.03 101.98 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.448 ' NE2' HD22 ' A' ' 20' ' ' LEU . 55.5 mt-30 -109.22 134.22 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.74 172.19 11.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -150.12 140.35 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -113.35 121.11 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 20.8 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 53' ' ' GLY . 5.6 mt -138.23 142.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.3 t30 -128.76 102.85 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.527 ' CZ2' HG22 ' A' ' 56' ' ' VAL . 69.3 m95 -77.46 135.61 38.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mt -132.2 164.5 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.532 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 16.7 ttp85 -153.14 114.12 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.35 25.6 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.13 45.58 5.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.1 p -164.08 150.45 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.93 128.64 36.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.2 tp -81.76 148.12 29.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.33 160.09 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.3 mt-10 -108.89 161.61 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 p -159.6 -177.51 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -40.52 -35.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -97.82 -59.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.3 m -67.32 142.93 56.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.6 tpt180 -147.51 118.8 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.509 HG23 ' CD1' ' A' ' 36' ' ' TRP . 42.9 mt -105.95 102.96 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.0 p -83.56 11.6 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' C ' HD11 ' A' ' 34' ' ' ILE . . . 106.45 -61.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -114.98 -2.38 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -137.81 132.46 32.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 75.8 t -110.93 140.85 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' ARG . 32.7 tt0 -139.48 119.73 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.6 t -121.66 112.21 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -75.85 143.72 41.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.3 t70 53.5 43.92 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' ASP . 60.1 p -41.11 163.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.2 161.16 46.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.159 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.45 -25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 75.2 m-20 -83.76 -24.14 31.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.6 p -47.76 174.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.04 -155.64 26.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.0 tp -116.67 94.5 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 44.9 m-85 -76.35 137.86 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.74 116.78 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.6 p -97.31 125.03 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.1 t -114.85 119.15 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -105.85 135.03 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.431 ' OD2' ' NH2' ' A' ' 26' ' ' ARG . 2.1 t70 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -151.66 133.97 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' CZ ' ' A' ' 84' ' ' PHE . 1.2 m -128.84 116.77 19.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -89.55 158.04 17.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.554 ' CZ ' HG23 ' A' ' 82' ' ' THR . 17.5 m-85 -149.84 106.13 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 t -79.7 104.56 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.23 145.52 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.72 105.03 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.1 t -99.62 117.59 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -159.93 141.6 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.6 117.47 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -85.22 146.71 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.35 156.79 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -147.05 128.21 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.8 m -148.42 -175.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.59 169.58 13.25 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.69 91.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.51 -12.59 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.64 -176.16 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.6 tp -108.74 109.32 20.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.46 107.28 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -113.72 136.12 53.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -131.27 170.54 14.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -148.59 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -116.03 131.63 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 8.0 mtm105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.352 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -139.4 142.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' ND2' HE22 ' A' ' 42' ' ' GLN . 2.3 t30 -125.49 106.03 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.562 ' CZ2' HG22 ' A' ' 56' ' ' VAL . 62.9 m95 -81.18 131.77 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -129.51 164.26 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 40.7 ttp180 -152.73 116.22 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.58 25.76 15.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.37 48.89 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.8 p -168.13 153.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.437 HE22 ' ND2' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -58.8 128.73 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.8 tp -79.75 153.93 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.68 151.0 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.85 159.46 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -157.63 178.94 9.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -37.76 -35.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -96.78 -59.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.7 m -63.58 140.68 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.197 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.6 tpt180 -144.16 110.47 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.562 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.5 mt -101.8 103.42 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -87.43 14.26 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.86 -61.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -120.33 -4.35 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -131.56 118.34 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.562 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 89.0 t -99.7 144.4 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ARG . 53.9 tt0 -142.66 117.37 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.7 t -119.53 110.07 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -75.72 139.81 42.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.1 t70 58.17 43.73 20.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' ASP . 60.3 p -40.27 162.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.55 160.9 46.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.53 -18.33 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.07 -14.98 32.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 m -52.04 173.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.52 -167.65 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.7 tp -107.74 98.08 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.5 m-85 -78.69 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.91 120.14 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p -100.19 125.2 46.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.2 t -115.23 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -102.64 130.35 49.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -150.95 122.26 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.551 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -116.48 120.02 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -92.05 159.43 15.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.551 ' CZ ' HG22 ' A' ' 82' ' ' THR . 15.1 m-85 -152.56 107.38 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -82.28 104.3 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.3 t -99.87 149.42 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -149.17 105.14 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.477 HG22 ' CG2' ' A' ' 15' ' ' VAL . 22.0 t -99.49 120.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -161.76 141.3 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.748 0.309 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.03 116.48 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -85.56 145.21 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -139.56 164.51 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -153.18 125.56 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.467 ' N ' HD13 ' A' ' 14' ' ' LEU . 34.5 m -147.76 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.494 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.8 170.23 11.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.848 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.78 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -12.37 3.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.4 -174.41 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -110.87 106.38 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 tp -78.95 103.61 9.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -111.17 131.57 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -126.46 167.67 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -148.11 139.91 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.3 t -109.07 129.27 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 mt -140.52 143.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' VAL . 24.7 t30 -129.73 104.64 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CD1' HG21 ' A' ' 51' ' ' ILE . 73.7 m95 -80.1 140.97 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 41' ' ' VAL . 9.0 mt -140.4 166.03 25.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp-105 -154.15 118.13 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 59.11 25.4 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.71 43.62 6.76 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' C ' HD22 ' A' ' 37' ' ' LEU . 5.2 p -159.68 150.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.1 126.62 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 tp -76.28 148.81 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.38 156.41 44.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.9 mt-10 -103.98 164.57 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -160.32 -176.61 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.76 -31.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -102.04 -56.95 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 m -67.47 140.08 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -145.4 114.88 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 36' ' ' TRP . 40.0 mt -102.74 109.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -91.07 15.49 11.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.98 -62.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -117.57 3.05 12.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -141.22 125.75 17.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 36' ' ' TRP . 76.4 t -109.76 134.5 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -133.37 118.7 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 t -118.76 114.02 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.19 147.3 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.0 t70 48.09 46.65 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 60' ' ' ASP . 57.9 p -42.4 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -145.68 161.29 41.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 111.137 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.55 2.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 -25.76 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 66.2 m-20 -83.3 -23.01 32.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.1 p -50.89 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.27 -156.09 25.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.95 93.21 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -74.08 147.48 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.69 117.2 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.1 p -100.11 126.0 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' ASN . 4.8 t -116.68 120.36 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -104.99 136.29 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.823 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -145.47 136.55 24.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -128.46 117.62 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -90.06 158.61 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.0 m-85 -150.7 107.74 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.94 98.87 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -95.62 146.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -145.97 104.98 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG13 ' CA ' ' A' ' 62' ' ' VAL . 42.0 t -99.86 117.49 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -160.35 142.07 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.776 0.322 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.71 115.49 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -84.84 149.51 25.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.9 m-85 -141.89 168.48 19.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 2.9 tm? -155.73 128.02 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 88' ' ' VAL . 28.4 m -150.48 -175.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.557 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.9 170.17 11.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.76 98.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.95 -9.73 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.41 -174.02 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.9 tp -110.0 110.27 21.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.09 108.75 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.419 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 10.0 mt-30 -114.21 131.62 56.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -125.0 164.23 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.483 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.2 ttp85 -142.12 137.78 31.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.1 t -113.43 121.13 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 14.8 ptt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.906 0.384 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.89 139.4 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -124.92 108.76 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.46 ' CZ2' HG22 ' A' ' 56' ' ' VAL . 67.7 m95 -83.42 139.15 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 41' ' ' VAL . 9.1 mt -137.43 164.91 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -152.92 116.31 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 60.38 26.12 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.09 43.62 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.414 ' C ' HD21 ' A' ' 37' ' ' LEU . 2.9 p -160.4 146.45 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.72 128.96 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 tp -80.65 148.19 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.17 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.4 mt-10 -95.11 156.72 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -152.07 177.06 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -40.8 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -101.34 -57.37 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.6 m -67.57 141.19 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.8 tpt180 -143.74 114.35 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.409 ' CG1' ' HG2' ' A' ' 45' ' ' GLU . 48.9 mt -100.61 106.68 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.6 p -90.52 14.94 11.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.43 -69.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.46 1.12 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -133.94 127.3 32.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 77.0 t -109.03 130.2 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ARG . 41.1 tt0 -127.99 120.45 27.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.9 t -121.1 115.22 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -77.49 147.11 36.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 50.0 44.32 25.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.1 p -40.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.35 161.52 41.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.675 0.75 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.53 4.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.397 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.0 -16.46 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.85 -25.23 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -47.52 175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.26 -149.91 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.8 100.03 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -82.0 137.96 35.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.45 117.92 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 p -98.94 126.63 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -115.58 116.41 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 p -103.0 129.7 49.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.82 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -151.89 130.78 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -126.36 115.95 20.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -88.36 157.79 18.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -149.57 108.78 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.4 t -82.05 110.45 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 87' ' ' ASN . 73.8 t -107.81 148.67 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' HG11 ' A' ' 86' ' ' VAL . 5.0 t30 -146.93 105.36 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.8 t -101.38 115.41 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -158.97 140.86 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.754 0.312 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -63.19 117.71 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -84.59 147.45 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' SER . 36.3 m-85 -143.07 160.31 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.541 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.4 tm? -151.85 123.25 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.452 ' N ' HD11 ' A' ' 14' ' ' LEU . 35.7 m -142.69 -174.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.94 169.54 13.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.71 . . . . 0.0 110.811 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.84 98.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.617 2.211 . . . . 0.0 112.345 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.85 -7.35 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.74 -174.4 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.9 tp -109.79 109.33 19.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 86' ' ' VAL . 66.3 tp -81.9 105.31 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.53 135.44 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -128.08 172.61 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 38.6 ttp180 -151.45 139.5 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -111.33 145.62 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.8 139.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -122.94 105.76 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.506 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 65.3 m95 -81.9 135.88 35.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.29 159.68 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 29.9 ttp85 -150.12 115.72 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 26.0 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.49 47.62 5.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.6 p -166.99 150.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -56.13 131.4 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 tp -81.05 147.01 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.7 145.28 50.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.7 mt-10 -96.94 154.93 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASN . 83.0 p -151.03 -177.81 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.3 m-20 -37.66 -40.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.2 mtt-85 -94.55 -61.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -58.44 137.73 57.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -143.66 113.02 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.506 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 49.0 mt -102.47 100.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.2 p -82.7 14.14 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 103.85 -61.7 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -115.46 -3.05 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -137.09 122.27 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 75.2 t -104.3 140.2 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ARG . 30.5 tt0 -138.1 119.55 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.9 t -120.86 111.36 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.9 mt-30 -75.21 150.01 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.1 t70 49.61 41.72 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 60' ' ' ASP . 54.3 p -40.63 162.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.0 161.44 45.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.739 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 3.23 2.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.2 -26.76 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.13 -19.25 40.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 p -51.66 177.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.55 -152.67 23.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.9 tp -119.44 100.34 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.3 m-85 -80.83 137.17 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.72 120.22 19.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -102.33 125.12 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 t -117.11 117.72 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -97.81 146.19 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.6 m -146.78 133.15 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.553 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -125.72 121.43 33.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -92.88 154.66 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 19.5 m-85 -148.04 106.83 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -77.99 111.31 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 21' ' ' LEU . 53.0 t -109.53 139.78 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 86' ' ' VAL . 6.9 t30 -142.35 106.44 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 40.1 t -100.16 118.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -163.73 136.67 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.319 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.99 113.79 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 150.41 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' SER . 39.0 m-85 -143.97 166.64 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -155.67 124.46 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.444 ' N ' HD12 ' A' ' 14' ' ' LEU . 26.8 m -145.55 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.484 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.09 169.88 12.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.1 Cg_endo -69.79 94.86 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.37 -12.47 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.34 -175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 tp -109.82 109.79 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.8 tp -82.52 104.87 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.88 128.03 56.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -124.08 167.05 14.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 23.7 ttt180 -146.08 143.35 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.3 129.25 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' CG2' ' SG ' ' A' ' 71' ' ' CYS . 9.6 mt -141.58 141.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -127.07 102.11 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.492 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 64.3 m95 -77.62 138.7 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.5 mt -135.22 159.19 42.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.507 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 22.9 ttp85 -150.36 116.12 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 62.94 24.99 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 47.71 5.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -167.17 146.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.61 128.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.1 tp -78.71 158.64 28.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.28 150.32 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.0 mt-10 -98.55 154.61 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ASN . 1.6 m -156.6 177.36 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -35.58 -35.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.2 mtm-85 -97.27 -61.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -64.8 138.09 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLU . 15.1 tpt85 -141.68 110.1 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 36.8 mt -102.32 102.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -86.58 17.56 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' C ' HD13 ' A' ' 34' ' ' ILE . . . 108.3 -66.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -116.85 4.88 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -138.58 123.91 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 79.8 t -106.67 135.54 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' ARG . 29.1 tt0 -134.31 118.14 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -118.8 112.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -77.5 140.51 39.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.2 t70 59.6 41.12 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 58.2 p -39.21 160.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 161.54 46.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.49 -26.41 12.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -83.31 -24.47 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.6 p -49.95 168.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.59 -158.86 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.37 94.82 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.507 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 38.0 m-85 -76.0 136.39 39.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.24 117.77 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -99.7 130.32 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -118.21 116.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -100.59 131.58 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.1 m -144.9 128.77 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.561 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.1 m -121.67 120.44 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.03 160.96 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CZ ' HG21 ' A' ' 82' ' ' THR . 14.1 m-85 -153.76 106.46 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.1 t -79.33 105.76 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.6 t -103.05 151.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -151.15 105.85 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 t -99.94 119.92 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -164.0 139.04 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -64.15 161.53 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -55.58 155.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.54 165.8 11.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -124.76 11.25 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 p -108.97 101.7 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.84 -44.93 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.84 169.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.8 113.67 27.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -104.8 92.19 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -61.23 115.97 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -84.37 150.52 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -143.93 161.51 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.4 tm? -149.93 126.32 10.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' N ' HD11 ' A' ' 14' ' ' LEU . 35.0 m -147.89 -174.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.592 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -133.98 170.19 11.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.93 -6.65 4.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -89.51 -173.83 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.2 tp -110.75 107.78 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.7 tp -80.17 102.02 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -109.49 133.88 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.6 mt -128.62 163.46 25.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 12.7 ttm105 -139.56 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 t -112.82 124.47 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.9 mtp-105 -68.74 112.19 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 34' ' ' ILE . 21.1 mt -102.54 171.64 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -124.99 -176.03 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -84.2 -12.33 55.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.2 m-20 -102.34 -30.87 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 t -35.05 144.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -121.78 -35.13 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.28 179.62 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.436 HD13 ' CD1' ' A' ' 27' ' ' LEU . 16.2 mt -143.94 142.13 24.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -125.0 112.3 16.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.452 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 66.2 m95 -87.12 131.56 34.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 41' ' ' VAL . 9.2 mt -131.17 165.1 24.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.543 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 28.3 ttp85 -153.59 115.34 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.05 25.2 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.42 43.13 6.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' C ' HD23 ' A' ' 37' ' ' LEU . 4.8 p -159.86 148.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.325 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.05 126.76 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -79.19 151.74 31.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.01 157.94 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.2 mt-10 -102.75 161.86 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 t -159.9 -179.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -40.39 -35.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -98.72 -55.23 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 m -67.84 141.11 56.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.9 tpt180 -145.41 113.88 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' CG1' ' HG2' ' A' ' 45' ' ' GLU . 51.2 mt -101.68 103.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.4 p -88.51 20.3 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 102.46 -67.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.34 1.99 13.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -137.4 123.38 20.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 57' ' ' GLU . 57.0 t -104.08 150.6 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 50' ' ' ARG . 34.7 tt0 -147.98 120.06 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.7 t -122.23 105.39 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.45 143.82 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.0 t70 55.0 42.2 31.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' ASP . 59.3 p -41.07 163.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.26 45.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.42 2.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.1 -17.07 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -91.58 -19.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.2 166.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.63 -159.14 28.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 tp -114.9 98.33 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 42.8 m-85 -78.86 142.2 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.72 117.09 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.6 p -99.98 125.63 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.71 119.24 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -99.43 128.46 45.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -88.0 117.83 27.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.5 p -127.75 153.99 77.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.675 0.75 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.82 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -120.61 -5.53 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.58 -144.72 11.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -159.76 112.86 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.23 167.54 14.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -148.27 137.14 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.541 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 1.4 m -130.06 119.75 23.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.17 156.29 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.541 ' CZ ' HG22 ' A' ' 82' ' ' THR . 12.4 m-85 -148.24 108.64 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -83.82 102.33 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 87' ' ' ASN . 38.1 t -98.12 153.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 105.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.79 119.35 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -162.39 143.57 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -13.44 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.07 108.45 8.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.9 mt -139.46 151.99 68.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.84 24.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.254 . . . . 0.0 112.344 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -108.84 124.52 50.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.48 79.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -21.19 34.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.4 p -103.33 120.09 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -169.98 148.23 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -121.98 91.63 3.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -76.53 -58.21 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.49 44.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -162.93 120.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -117.86 117.79 30.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.82 132.24 2.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.74 164.84 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -98.79 122.5 42.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -112.8 91.33 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' SER . 9.2 tt0 -59.85 121.27 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.34 152.75 22.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.0 m-85 -147.66 156.26 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.0 tm? -144.94 127.99 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' CG2' ' CG2' ' A' ' 88' ' ' VAL . 35.8 m -148.19 -175.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -133.2 170.26 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.75 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.0 -12.22 4.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.68 -173.58 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.44 HD12 ' CG ' ' A' ' 57' ' ' GLU . 47.1 tp -112.03 109.69 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 tp -82.8 104.9 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -111.02 131.02 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.88 168.88 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -147.67 144.17 28.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.34 115.85 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -59.66 111.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 34' ' ' ILE . 30.2 mt -99.42 175.79 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -131.75 176.39 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.04 -11.37 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' VAL . 25.0 m-20 -103.32 -31.16 10.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 t -33.71 141.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -118.79 -34.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -148.69 177.98 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 27' ' ' LEU . 18.4 mt -140.82 141.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -124.18 106.94 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CD1' HG23 ' A' ' 51' ' ' ILE . 62.7 m95 -83.1 135.38 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt -136.07 161.05 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -149.22 113.37 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.3 25.59 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.38 41.92 7.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.7 p -159.6 143.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -51.07 128.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -79.55 147.47 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.34 154.32 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -100.91 155.27 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -151.03 -179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 47' ' ' ASN . 12.0 p-10 -42.66 -34.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -98.32 -55.51 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -65.83 139.07 58.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.4 tpt180 -143.9 108.76 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.517 HG23 ' CD1' ' A' ' 36' ' ' TRP . 48.3 mt -97.95 105.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -91.39 26.61 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 98.8 -68.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.3 pt-20 -118.71 8.59 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.35 117.4 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 69.9 t -103.12 140.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' CG ' HD12 ' A' ' 20' ' ' LEU . 50.1 tt0 -138.71 118.02 12.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.3 t -118.15 108.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -74.11 143.25 45.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.7 t70 54.65 42.59 31.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ASP . 51.4 p -41.05 163.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.36 45.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.26 2.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.55 -19.14 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -88.14 -24.34 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -44.82 170.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 -163.66 28.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.9 tp -110.32 97.61 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -77.56 138.45 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.92 117.16 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -101.05 125.14 47.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.5 t -115.24 116.23 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -99.18 128.11 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m -88.17 114.55 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -130.81 152.85 81.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -0.12 6.42 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.9 p -112.46 -11.68 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.31 128.33 2.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -72.28 123.29 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -94.27 -178.23 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 m -155.56 133.81 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.499 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -127.54 119.19 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -91.92 155.52 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.2 m-85 -147.66 106.11 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' PHE . 41.0 t -80.34 105.86 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.2 t -103.14 152.72 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.01 106.34 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.445 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 55.3 t -100.78 119.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -162.34 144.0 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -62.73 -14.07 40.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.05 121.02 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mt -138.06 151.54 70.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.69 3.3 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -59.64 178.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.98 83.15 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 177.58 5.42 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.6 m -120.87 -68.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 t -37.9 -51.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -75.9 149.37 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -137.19 133.75 35.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 84.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -91.21 134.92 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -136.38 146.92 47.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.11 53.82 1.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.47 169.82 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -88.81 117.08 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.91 92.59 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 15.0 tt0 -59.39 113.35 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -83.97 146.25 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CE1' ' HG2' ' A' ' 11' ' ' GLU . 45.2 m-85 -140.67 167.26 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 2.8 tm? -156.22 128.07 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' CG2' ' CG2' ' A' ' 88' ' ' VAL . 29.9 m -149.23 -174.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.1 169.85 12.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.77 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.07 -11.41 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.76 -174.19 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 tp -111.27 107.72 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -80.6 107.62 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -113.42 131.52 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -125.72 169.27 12.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -147.07 142.5 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.28 115.34 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -57.19 110.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' CD ' ' A' ' 54' ' ' GLU . 41.4 mt -98.75 175.08 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -131.98 -177.36 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -83.55 -10.75 58.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 31' ' ' VAL . 37.4 m-20 -104.85 -29.6 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 t -33.31 139.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -119.27 -29.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -153.9 178.87 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.4 mt -143.44 140.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -124.16 106.75 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.473 ' CZ2' HG21 ' A' ' 56' ' ' VAL . 69.0 m95 -81.15 134.73 35.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -133.32 162.22 32.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 31.3 ttp180 -152.02 114.02 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 63.22 25.9 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.21 43.54 7.01 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -160.43 148.9 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -58.47 125.94 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.42 153.54 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.69 159.17 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 3.5 mt-10 -103.33 162.17 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 t -160.02 -176.42 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -44.96 -37.49 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -96.02 -52.81 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 m -68.52 139.76 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.7 tpp180 -144.32 113.6 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 57.3 mt -105.44 110.08 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -91.17 7.37 41.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.2 -57.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' CD ' HD11 ' A' ' 27' ' ' LEU . 3.2 pt-20 -122.3 -3.06 8.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -134.55 122.7 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG21 ' CZ2' ' A' ' 36' ' ' TRP . 79.8 t -102.81 147.13 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 50' ' ' ARG . 35.5 tt0 -144.43 118.55 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 t -120.09 108.43 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -72.51 142.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.2 t70 53.42 44.79 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 60' ' ' ASP . 38.4 p -41.97 165.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.26 161.13 43.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.723 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.88 -17.53 14.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -90.02 -22.2 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.77 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.86 -152.48 24.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.19 96.77 5.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.6 m-85 -77.57 141.6 39.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.52 115.15 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.8 p -96.64 127.48 42.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.42 117.4 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -98.56 140.6 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -102.39 108.97 20.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.7 p -126.9 152.51 75.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.721 0.772 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.65 4.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -115.04 -10.64 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.13 129.08 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 p -77.76 121.47 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -92.72 178.97 5.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 m -151.83 133.06 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.6 m -126.75 119.29 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -91.43 157.73 16.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -149.41 108.98 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.68 106.33 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.4 t -102.11 151.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -151.19 105.07 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.404 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 54.7 t -100.02 119.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -161.88 143.7 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -9.93 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.42 113.39 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.8 mt -136.73 143.74 44.05 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 106.74 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t -91.74 146.95 23.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.92 -96.28 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -3.85 12.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.343 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.6 t -146.68 153.83 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -55.91 124.59 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -84.1 91.4 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -42.88 133.05 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 134.53 5.2 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 m -99.1 103.51 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -85.24 -49.68 7.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.81 87.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.91 165.9 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.09 113.0 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.71 91.93 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.74 108.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -80.05 149.43 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.4 m-85 -141.09 171.97 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 tm? -158.43 125.32 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.462 ' N ' HD11 ' A' ' 14' ' ' LEU . 33.3 m -147.76 -175.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.33 169.85 12.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.71 93.36 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.97 -8.86 3.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -86.66 -174.43 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.8 tp -110.05 107.55 17.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -79.58 101.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -109.06 132.75 53.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -125.69 174.65 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -151.69 140.88 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.2 t -114.63 115.19 26.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -62.6 108.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 73' ' ' THR . 20.5 mt -98.27 -177.18 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -136.27 -177.48 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -82.83 -10.37 58.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m-20 -103.24 -32.79 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.9 t -32.17 142.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 31' ' ' VAL . 26.7 mt-30 -116.75 -35.97 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -150.14 178.58 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 HD11 ' C ' ' A' ' 53' ' ' GLY . 13.0 mt -139.96 140.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -125.54 105.01 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.499 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 70.2 m95 -78.98 137.37 37.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.9 mt -135.21 162.08 33.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 21.4 ttp85 -151.4 113.61 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.61 25.76 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.74 43.32 6.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 p -160.74 147.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -55.87 128.4 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.3 tp -79.96 146.3 32.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.17 152.83 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -97.74 157.8 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -153.67 178.98 9.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -38.93 -35.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -100.31 -54.09 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.1 m -65.74 138.61 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLU . 11.6 tpt180 -143.38 114.38 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.499 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 49.5 mt -105.42 102.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.9 p -83.59 13.1 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' C ' HD11 ' A' ' 34' ' ' ILE . . . 106.88 -61.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.19 -2.45 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -135.94 126.57 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG21 ' CZ2' ' A' ' 36' ' ' TRP . 74.7 t -105.09 145.42 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 50' ' ' ARG . 35.5 tt0 -144.09 118.97 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.9 t -121.34 111.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -74.74 144.19 43.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.9 t70 52.74 44.11 30.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' ASP . 53.3 p -41.44 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -144.46 160.81 46.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.135 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.37 2.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.68 -18.48 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 67.0 m-20 -89.35 -20.22 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -50.61 176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.41 -156.41 26.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.7 tp -117.58 95.35 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.524 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 51.2 m-85 -76.42 138.65 40.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.64 117.44 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.3 p -98.66 126.15 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -114.18 117.45 55.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 HG22 ' CD2' ' A' ' 27' ' ' LEU . 31.7 p -104.39 129.54 52.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.1 m -89.92 122.0 32.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -136.62 152.82 75.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.84 7.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -113.8 -6.56 13.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.29 128.4 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -70.02 130.72 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.814 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.32 174.14 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -151.29 135.39 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.552 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 2.3 m -130.29 117.99 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -89.62 159.18 17.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 82' ' ' THR . 16.7 m-85 -150.79 106.85 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.7 t -80.4 107.48 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.33 150.28 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -150.24 105.39 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.441 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 46.9 t -100.87 117.29 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -161.23 138.17 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.78 -17.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.23 110.91 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 mt -133.59 142.38 43.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.23 4.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -85.06 94.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -45.66 -93.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 147.85 64.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -101.77 141.75 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -127.4 128.04 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -90.81 144.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -161.28 134.04 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.48 -84.92 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -90.26 84.28 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 p -82.05 -49.98 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.89 60.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.58 174.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -97.19 97.29 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.7 t -91.13 92.27 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.83 111.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -80.32 149.41 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' SER . 30.1 m-85 -144.93 161.58 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.3 tm? -151.92 128.48 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.432 ' N ' HD11 ' A' ' 14' ' ' LEU . 27.7 m -148.91 -174.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.574 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.76 170.34 11.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.78 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.33 -8.08 4.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.87 -174.51 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -110.56 107.12 16.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -80.73 105.33 11.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -112.58 137.0 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.67 173.47 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -149.38 145.81 27.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.7 t -118.06 124.82 49.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -69.26 111.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 34' ' ' ILE . 31.9 mt -98.07 171.21 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -124.9 -178.78 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -1.31 57.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -117.31 -24.68 7.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 32' ' ' GLN . 4.2 t -38.63 140.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' N ' HG12 ' A' ' 31' ' ' VAL . 26.9 mt-30 -110.78 -37.58 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -151.16 177.17 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.445 ' CD1' HD22 ' A' ' 27' ' ' LEU . 10.4 mt -136.53 140.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -122.96 104.64 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.578 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 70.5 m95 -78.87 134.63 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -132.41 162.78 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 27.1 ttp85 -152.25 115.2 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.9 26.29 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.58 43.76 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 p -162.69 144.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.6 129.75 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.3 tp -79.38 152.89 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.61 154.88 47.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.8 158.62 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.5 p -154.37 -179.73 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -43.72 -32.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.3 mtt-85 -100.4 -54.4 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.6 m -64.86 143.1 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -146.37 110.53 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.578 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 51.0 mt -100.77 102.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.5 p -84.92 15.03 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.1 -59.03 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -119.23 2.13 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.02 125.39 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 ' CE2' ' A' ' 36' ' ' TRP . 76.5 t -107.21 136.03 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -137.58 116.4 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -118.58 117.72 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.5 mt-30 -79.12 153.51 30.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 46.0 41.54 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.2 p -38.51 158.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.474 ' CA ' HG13 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -142.3 161.84 48.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 1.52 4.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.388 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.18 -21.75 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.71 -21.87 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -52.11 173.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.67 -152.76 24.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.434 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.82 98.53 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.9 m-85 -78.75 147.51 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.68 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.7 p -94.93 126.28 40.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -114.49 117.24 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 p -100.18 131.72 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.6 t -94.57 120.71 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -130.35 153.09 81.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.655 0.74 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.347 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 m -121.71 -2.93 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.13 -151.45 23.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -155.09 122.9 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.38 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.21 165.59 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -147.79 127.71 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.571 HG23 ' CZ ' ' A' ' 84' ' ' PHE . 1.8 m -120.85 118.66 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -91.0 159.52 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 82' ' ' THR . 10.0 m-85 -151.22 106.51 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.3 t -80.14 103.44 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.86 146.58 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -146.96 106.61 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.474 HG13 ' CA ' ' A' ' 62' ' ' VAL . 35.3 t -101.12 119.4 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -163.29 138.03 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.41 -26.82 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.23 123.18 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' CD1' ' O ' ' A' ' 90' ' ' ASP . 5.2 mp -126.42 150.79 71.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.623 0.725 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 95' ' ' GLY . 53.9 Cg_endo -69.76 -7.6 21.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -60.7 81.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . 91.81 -177.49 40.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 157.03 61.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -55.04 99.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.7 t -103.77 -45.8 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -128.07 158.86 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -59.27 176.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 -46.73 0.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -104.47 152.56 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -124.69 173.29 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.7 67.86 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 t -152.19 170.45 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.14 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -105.43 118.13 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.1 t -120.16 94.5 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -60.65 119.28 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -88.13 148.76 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 41.3 m-85 -141.89 169.15 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 ' CD2' ' A' ' 92' ' ' LEU . 2.5 tm? -157.88 129.92 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 88' ' ' VAL . 29.6 m -151.27 -175.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.79 170.16 12.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.7 96.0 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.48 -10.26 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -84.2 -173.78 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 tp -111.7 106.2 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.97 108.5 12.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -115.01 126.39 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.34 160.69 26.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 13.5 ttp85 -136.79 135.63 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.1 t -97.28 145.71 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -83.25 114.38 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' CD2' HG22 ' A' ' 73' ' ' THR . 94.2 mt -109.35 170.34 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -135.38 -175.26 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -82.7 -8.6 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 31' ' ' VAL . 19.7 m-20 -107.33 -29.33 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.3 t -33.41 142.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -120.2 -33.54 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -150.31 179.44 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 mt -141.79 143.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.0 t30 -131.4 103.28 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' HG22 ' A' ' 51' ' ' ILE . 77.5 m95 -75.95 141.75 42.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' C ' ' A' ' 41' ' ' VAL . 8.4 mt -142.13 159.77 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -148.15 117.77 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.05 25.02 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 48.19 5.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.422 ' C ' HD21 ' A' ' 37' ' ' LEU . 5.6 p -166.22 148.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -55.74 128.33 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 tp -77.54 148.9 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.37 148.31 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.2 mt-10 -98.73 159.96 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ARG . 88.7 p -159.96 174.86 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' SER . 15.2 m-20 -35.37 -34.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 83.5 mtm-85 -96.36 -61.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.8 m -64.03 141.29 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.4 tpt180 -144.3 108.21 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.544 HG22 ' CD1' ' A' ' 36' ' ' TRP . 49.1 mt -99.75 103.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -87.94 21.38 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 101.39 -67.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.18 11.13 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -146.49 129.3 16.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG21 ' CZ2' ' A' ' 36' ' ' TRP . 90.7 t -111.67 139.9 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 50' ' ' ARG . 55.8 tt0 -139.14 117.46 11.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 t -118.85 110.52 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -75.92 140.69 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.4 t70 58.28 43.53 20.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' ASP . 60.4 p -41.23 163.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.422 ' CA ' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -144.54 161.01 45.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 3.58 2.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.29 -26.88 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.94 -28.41 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -46.64 172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.77 -149.57 21.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.5 97.37 5.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.4 145.42 35.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.19 115.94 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.7 p -98.0 126.66 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ASN . 5.2 t -114.24 117.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.437 HG22 ' CD2' ' A' ' 27' ' ' LEU . 35.1 p -102.87 130.9 50.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m -85.97 115.13 23.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -130.4 152.62 80.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.85 4.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -114.46 -10.58 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.28 126.51 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 116.32 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -83.52 -176.61 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -160.46 129.17 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -123.69 116.02 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -88.28 158.66 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.552 ' CZ ' HG22 ' A' ' 82' ' ' THR . 27.5 m-85 -151.15 106.44 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' PHE . 6.6 t -78.64 109.57 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.43 151.58 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.64 105.12 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 15' ' ' VAL . 51.2 t -100.52 117.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.4 t -159.78 143.4 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -17.13 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.23 109.32 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.43 ' CD2' HD12 ' A' ' 14' ' ' LEU . 55.9 mt -137.46 152.21 72.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.63 14.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -83.98 39.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -169.06 75.36 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.3 p -147.33 171.46 15.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 m -100.58 -49.14 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -62.07 112.35 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 56.13 38.61 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.01 -142.64 33.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 61.48 40.93 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.4 m -97.46 60.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.66 -166.64 42.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -136.17 175.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -86.72 118.3 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.2 91.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.21 114.36 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -81.78 150.11 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 47.4 m-85 -142.95 169.56 17.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.4 tm? -158.26 132.98 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG22 ' CG2' ' A' ' 88' ' ' VAL . 30.6 m -155.93 -174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.13 170.18 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.2 Cg_endo -69.71 96.78 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.68 -15.53 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.35 -174.54 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 HD11 ' CG ' ' A' ' 57' ' ' GLU . 59.3 tp -110.39 114.68 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -85.47 105.47 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -109.18 138.9 44.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -135.05 162.54 32.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.6 ttm180 -138.57 140.42 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -112.84 125.5 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -68.84 112.5 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 34' ' ' ILE . 76.8 mt -99.3 168.57 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -119.81 -174.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -13.74 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 13.0 m-20 -106.41 -24.6 12.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.7 t -36.13 138.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -114.09 -40.36 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 p -144.4 176.9 9.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 27' ' ' LEU . 27.7 mt -138.25 142.97 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.474 ' ND2' HE22 ' A' ' 42' ' ' GLN . 2.9 t30 -124.38 108.61 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.564 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.6 m95 -82.74 130.37 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -128.54 166.64 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 24.1 ttp85 -155.34 115.3 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 63.35 25.34 14.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.92 43.45 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.59 152.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.474 HE22 ' ND2' ' A' ' 35' ' ' ASN . 2.1 tp60 -57.23 133.32 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 tp -88.24 147.61 24.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.08 153.77 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -97.76 165.5 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' ARG . 1.2 t -161.28 174.54 13.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.3 m120 -36.11 -31.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' SER . 82.4 mtm180 -100.86 -59.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.8 m -62.79 136.81 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -139.14 109.32 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.564 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.4 mt -100.31 102.69 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -86.4 12.84 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 109.5 -63.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt-20 -119.69 4.05 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -139.25 118.88 13.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.9 t -98.4 148.53 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.6 tt0 -148.17 109.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.9 t -112.96 110.63 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -74.94 145.34 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.8 t70 54.37 41.31 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 60' ' ' ASP . 53.8 p -40.16 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.67 161.22 44.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.096 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.8 -18.57 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 59.8 m-20 -90.33 -23.19 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -47.92 174.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.98 -156.17 26.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 tp -116.71 99.87 7.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.1 m-85 -81.17 145.55 30.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.59 116.76 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.2 p -97.67 126.86 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.29 119.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.462 HG23 ' CD2' ' A' ' 27' ' ' LEU . 14.9 p -102.65 129.63 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -93.19 118.8 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.5 p -126.39 154.05 74.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.27 3.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -121.35 -4.35 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.17 -149.73 21.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -155.86 126.45 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.79 170.95 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.9 m -150.8 134.21 16.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.4 m -127.16 119.99 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' C ' ' CG ' ' A' ' 84' ' ' PHE . 3.0 m-85 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 82' ' ' THR . 16.8 m-85 -156.7 107.27 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.5 t -83.65 104.88 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.39 151.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.15 105.06 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.419 ' CG2' HG22 ' A' ' 15' ' ' VAL . 25.9 t -100.98 118.24 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 140.6 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.92 -17.09 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.37 106.9 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 mt -129.96 147.86 67.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 94.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -156.4 152.25 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -169.89 78.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.88 13.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 t -100.07 151.36 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.1 t -130.96 126.44 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 62.63 42.24 8.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -109.98 114.82 28.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.65 133.96 3.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -132.03 177.7 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -101.42 41.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.96 129.73 4.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.19 175.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -109.67 118.23 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.3 t -113.94 92.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 11.4 tt0 -61.44 113.37 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -83.0 147.68 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' CE1' ' HG2' ' A' ' 11' ' ' GLU . 42.8 m-85 -143.67 160.88 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -150.8 124.12 8.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.443 ' N ' HD11 ' A' ' 14' ' ' LEU . 34.3 m -144.85 -175.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.468 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.6 169.27 14.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.468 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 90.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -9.27 2.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.21 -174.79 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.1 tp -109.83 107.37 17.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.8 tp -78.54 102.27 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -107.6 133.24 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.5 mt -129.18 166.88 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 26.7 ttp180 -142.98 142.87 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' GLU . 54.0 t -115.5 124.5 51.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -70.29 112.36 6.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD13 ' CD ' ' A' ' 54' ' ' GLU . 81.7 mt -99.08 171.71 7.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -123.59 -174.69 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -87.47 -5.22 58.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.4 p30 -112.37 -29.85 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.0 t -34.22 136.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -114.17 -32.79 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -148.4 178.9 8.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 35' ' ' ASN . 13.5 mt -138.55 149.09 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.9 t30 -132.22 101.84 5.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' NE1' ' O ' ' A' ' 53' ' ' GLY . 66.4 m95 -78.62 133.35 37.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 41' ' ' VAL . 8.8 mt -133.68 161.36 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 37.6 ttp180 -151.99 116.41 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.61 25.46 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.44 7.33 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' C ' HD22 ' A' ' 37' ' ' LEU . 9.8 p -163.15 152.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -56.78 136.08 55.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -87.35 152.13 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.01 148.66 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.463 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.4 mt-10 -99.61 158.43 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -158.78 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -39.82 -35.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -97.33 -61.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.9 m -65.72 137.4 57.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.4 tpt180 -141.37 111.04 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.463 ' CG1' ' HG2' ' A' ' 45' ' ' GLU . 53.5 mt -97.38 99.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -82.86 17.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 102.21 -70.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' CYS . 3.8 pt-20 -106.97 -7.78 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -130.94 139.68 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 57' ' ' GLU . 85.3 t -117.24 141.93 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 50' ' ' ARG . 29.4 tt0 -139.43 119.18 13.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 t -120.97 108.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -72.91 146.78 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.5 t70 51.29 42.37 28.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 60' ' ' ASP . 60.2 p -41.02 163.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.38 161.43 44.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.612 0.72 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 1.49 4.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.62 -23.0 14.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.01 -20.85 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -50.08 174.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.8 -163.57 27.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.3 tp -109.98 98.54 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.5 m-85 -77.57 147.97 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.07 111.78 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -95.6 124.9 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 35' ' ' ASN . 38.5 t -115.26 122.42 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 p -101.92 129.21 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -88.56 109.58 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -121.3 155.72 58.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -113.85 -12.91 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.06 -134.33 3.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -161.07 111.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -81.25 162.03 23.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 80' ' ' ASP . 6.6 m -149.38 124.29 9.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.571 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 2.1 m -120.45 121.84 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.57 157.95 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CZ ' HG22 ' A' ' 82' ' ' THR . 10.4 m-85 -149.88 110.97 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 t -84.72 102.17 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -100.41 150.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -150.06 106.11 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.9 t -100.08 119.98 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -163.82 138.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -53.8 -31.1 47.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.79 124.75 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.32 155.99 73.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -3.54 12.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 m -73.3 142.94 47.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.81 151.3 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -123.04 156.65 34.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.5 p -96.74 88.57 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.483 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -152.84 114.54 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -85.32 165.66 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.02 121.53 3.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -74.58 120.6 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 m -107.63 124.91 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.65 136.51 13.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.49 161.88 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -81.94 110.75 17.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.0 t -111.28 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.43 119.56 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -89.28 146.29 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -140.28 167.51 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 ' N ' HD11 ' A' ' 14' ' ' LEU . 31.5 m -143.23 -174.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.522 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.51 169.65 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.2 Cg_endo -69.78 99.0 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.7 -8.6 6.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -86.0 -174.1 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.9 tp -111.26 106.66 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.74 109.58 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.4 134.57 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -127.5 173.89 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.6 ttm105 -152.76 139.97 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.52 116.78 27.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -61.08 112.82 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 34' ' ' ILE . 75.5 mt -96.02 177.15 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -134.48 161.58 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.44 -9.77 37.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 m-20 -105.38 -31.95 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' ASP . 11.6 t -34.34 142.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' N ' HG11 ' A' ' 31' ' ' VAL . 28.4 mt-30 -118.52 -29.41 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -155.98 176.81 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 27' ' ' LEU . 16.4 mt -139.87 142.43 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -126.14 106.88 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD1' HG23 ' A' ' 51' ' ' ILE . 68.4 m95 -80.74 134.47 35.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -132.36 157.33 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.538 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 29.7 ttp180 -146.71 114.27 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.04 25.55 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.29 50.56 4.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -170.22 148.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 111.14 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 129.25 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 tp -78.77 157.48 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.82 153.08 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.041 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.39 160.58 14.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.17 -178.14 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.07 -23.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -108.74 -58.3 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.6 m -65.34 136.05 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.1 tpt180 -137.91 110.12 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.544 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.6 mt -99.84 103.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -89.24 19.7 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.41 -67.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -116.18 -1.74 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -132.37 119.86 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' A' ' 36' ' ' TRP . 82.1 t -102.47 140.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' ARG . 37.8 tt0 -139.16 115.22 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.3 t -117.3 113.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -78.4 146.54 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t70 54.34 39.6 31.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.0 p -39.05 159.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.85 161.79 44.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -19.4 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.8 -25.55 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -45.42 169.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.13 -164.23 28.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.77 95.31 5.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.538 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.7 m-85 -77.86 137.57 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.65 121.46 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.7 p -101.97 125.11 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.5 t -114.9 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -100.99 128.47 47.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -88.54 107.04 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.7 p -123.1 152.73 63.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 2.35 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -115.24 -8.86 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.7 130.73 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -73.13 117.94 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -88.74 -177.66 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.1 m -158.49 129.87 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -124.59 118.11 25.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -89.64 155.6 19.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -147.58 108.14 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -79.95 107.25 12.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.53 146.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -146.51 105.66 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 50.5 t -99.95 120.7 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -164.55 145.04 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -16.87 49.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.16 111.91 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mt -138.93 152.05 69.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -64.64 159.28 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.55 98.17 0.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -177.39 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.737 2.291 . . . . 0.0 112.3 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.2 m -65.89 122.26 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.5 p -96.48 -51.96 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -131.73 120.3 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -47.95 157.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.84 -172.06 19.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -97.7 149.55 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -101.38 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.61 132.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -142.06 170.43 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -98.63 111.83 24.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.2 94.96 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.36 116.04 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -86.0 146.2 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.8 m-85 -142.47 159.96 41.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 tm? -149.88 128.73 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' CG2' ' CG2' ' A' ' 88' ' ' VAL . 35.0 m -149.13 -174.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.32 170.49 11.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.8 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.03 -7.85 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -85.97 -175.38 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 tp -109.95 108.5 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.48 109.87 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -118.33 125.35 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.84 175.2 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 21.6 ttt-85 -150.54 142.69 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.5 t -118.59 122.36 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 16.7 ptt180 -68.92 114.81 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 34' ' ' ILE . 94.4 mt -99.59 167.34 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -117.83 -178.83 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -82.06 -12.07 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 31' ' ' VAL . 7.9 p30 -105.6 -30.81 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 7.0 t -34.6 137.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.52 -37.07 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.12 178.3 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 27' ' ' LEU . 29.1 mt -140.51 142.14 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 34' ' ' ILE . 3.3 t30 -123.95 110.77 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.547 ' CD1' HG22 ' A' ' 51' ' ' ILE . 66.7 m95 -85.25 133.2 34.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -132.8 164.48 26.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.468 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 33.2 ttp180 -152.74 116.47 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.3 27.3 16.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.15 7.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 p -163.14 146.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.313 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.57 133.45 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.7 tp -86.62 148.86 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.35 151.98 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.047 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.8 mt-10 -98.29 154.36 17.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ARG . 99.2 p -151.51 173.92 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 29.2 t-20 -34.45 -32.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' SER . 68.1 mtm-85 -99.82 -60.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.8 m -63.46 143.59 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.4 tpt180 -146.56 119.51 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.547 HG22 ' CD1' ' A' ' 36' ' ' TRP . 61.1 mt -107.82 103.7 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -87.87 12.98 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.88 -67.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.57 1.11 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -136.41 123.87 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.53 143.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' ARG . 51.2 tt0 -142.39 118.06 10.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -121.98 116.04 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -78.98 147.58 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.5 t70 50.12 43.66 25.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ASP . 65.5 p -39.78 161.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.58 161.48 49.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -24.19 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -84.95 -22.37 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -50.43 177.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.67 -157.81 24.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.8 tp -113.94 101.29 9.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.468 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 17.7 m-85 -81.81 144.44 31.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.8 118.38 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.4 p -100.92 125.57 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.2 119.91 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.4 m -90.55 117.88 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.0 p -126.55 154.66 75.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.32 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -119.77 -7.95 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.31 -141.54 7.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p -162.73 117.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -91.72 172.81 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -151.41 138.89 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.552 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.2 m -131.38 121.47 24.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -93.43 156.2 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 82' ' ' THR . 12.4 m-85 -148.58 107.35 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t -79.38 109.32 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.63 148.23 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -148.3 105.01 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -101.0 115.68 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -158.27 142.55 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -24.93 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.45 121.4 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.93 152.07 55.8 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.66 35.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 t -38.65 127.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -50.31 115.85 3.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -174.14 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.255 . . . . 0.0 112.305 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t -115.07 -62.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.4 p -78.89 149.44 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -130.7 128.14 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -149.31 142.03 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.67 64.19 0.48 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -156.12 122.64 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -111.27 134.39 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 54.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -139.36 168.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -87.18 100.88 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.33 99.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.45 113.76 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.54 147.8 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' SER . 37.8 m-85 -142.46 161.35 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -150.94 127.89 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.437 ' N ' HD12 ' A' ' 14' ' ' LEU . 32.3 m -149.43 -175.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.558 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.92 169.72 12.99 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.8 -12.92 4.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.56 -174.06 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.1 tp -111.24 106.35 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.3 tp -78.85 108.48 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -114.93 135.41 54.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -131.85 172.31 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttp-105 -152.48 142.76 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.83 126.71 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 -65.42 115.11 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.8 mt -110.89 -178.44 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 8.1 ptm180 -152.52 178.15 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 8.55 3.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.36 -35.9 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' HG2' ' A' ' 28' ' ' ARG . 6.2 t -38.0 139.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -112.22 -39.35 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -146.84 -179.95 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.3 mt -140.24 140.39 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 t30 -127.81 102.92 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.565 ' CD1' HG21 ' A' ' 51' ' ' ILE . 69.7 m95 -79.11 137.89 37.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mt -136.22 163.82 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 31.8 ttp85 -152.43 115.27 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.39 26.4 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.66 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.8 p -162.82 147.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -55.27 128.18 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 tp -81.87 148.27 28.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.56 166.53 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -108.45 162.55 14.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 t -159.55 175.3 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -39.46 -31.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -99.28 -55.87 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.4 m -68.9 139.01 55.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.9 tpt180 -141.67 109.2 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 36' ' ' TRP . 57.9 mt -100.68 105.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -86.15 17.28 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.87 -63.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.28 5.91 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.39 122.49 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.9 t -102.52 134.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' ARG . 30.9 tt0 -136.01 116.56 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -118.59 118.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -80.15 141.42 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.7 t70 55.0 45.01 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 60' ' ' ASP . 53.5 p -40.44 162.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.55 161.59 43.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.152 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 -24.23 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 73.9 m-20 -85.1 -23.23 28.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -49.84 176.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.19 -154.73 25.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 tp -116.88 95.45 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.522 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.3 m-85 -75.79 139.45 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.92 116.79 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -99.84 126.61 45.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 35' ' ' ASN . 17.2 t -117.42 118.82 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -104.66 133.17 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -86.7 113.29 22.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 p -127.94 151.88 76.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -2.24 9.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -111.88 -10.34 13.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.97 128.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -67.82 115.18 7.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -84.22 174.22 10.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 m -152.19 129.27 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.499 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.3 m -123.15 120.12 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -92.23 156.9 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 82' ' ' THR . 13.9 m-85 -150.2 106.13 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -79.61 108.41 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.87 141.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -140.25 105.25 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.2 t -100.14 115.94 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -160.31 139.77 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -25.45 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.53 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mp -108.58 153.12 42.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.39 5.73 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -52.37 166.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.7 -173.12 34.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.14 9.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 89.7 p 39.85 42.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m -70.86 98.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -128.88 128.19 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -107.21 119.51 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.24 -148.22 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -81.4 176.8 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -107.33 177.61 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.66 123.48 1.48 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.7 167.06 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -94.83 112.32 24.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t -104.74 93.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.6 113.04 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 t -82.9 150.08 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.3 m-85 -141.32 174.08 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -162.68 124.04 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' CG2' ' CG2' ' A' ' 88' ' ' VAL . 33.2 m -146.68 -174.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.495 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -134.03 170.36 11.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 94.8 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.51 -6.89 4.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.87 -174.11 4.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 HD12 ' CG ' ' A' ' 57' ' ' GLU . 45.1 tp -111.05 107.61 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -80.12 102.74 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -108.69 128.54 54.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.36 164.6 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 44.9 ttt180 -141.55 144.67 34.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.1 t -120.35 116.06 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -60.03 110.0 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.8 mt -98.19 172.31 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -127.73 161.1 29.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -13.64 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' VAL . 65.7 m-20 -100.12 -31.69 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.5 t -33.04 143.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -119.04 -29.11 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -155.1 177.5 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD13 ' C ' ' A' ' 53' ' ' GLY . 6.6 mt -139.61 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.5 t30 -130.18 101.86 5.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 65.0 m95 -78.11 137.53 38.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 41' ' ' VAL . 9.0 mt -135.39 160.66 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 30.7 ttp180 -151.15 115.0 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.24 25.87 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.52 44.63 7.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' C ' HD22 ' A' ' 37' ' ' LEU . 7.4 p -163.59 153.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.34 133.29 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.43 155.87 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.49 152.49 51.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.7 mt-10 -99.82 157.78 16.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -157.18 -178.16 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -42.79 -35.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -96.51 -56.53 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.7 m -67.42 135.41 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.8 tpt180 -140.56 106.23 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 36.1 mt -95.66 105.61 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.1 p -93.14 30.35 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 97.54 -69.73 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -118.8 6.61 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -137.55 117.45 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.4 t -103.16 141.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 50' ' ' ARG . 28.5 tt0 -138.86 117.21 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.0 t -117.39 108.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -74.4 142.05 45.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.9 t0 56.38 42.72 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' ASP . 51.8 p -41.59 164.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.28 161.17 45.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.32 2.86 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.677 2.252 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.99 -21.17 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.31 -21.1 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -47.91 174.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.54 -163.7 27.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.0 tp -110.24 95.26 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.452 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.0 m-85 -74.86 137.51 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.11 117.16 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -99.11 125.59 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 35' ' ' ASN . 13.0 t -113.98 119.08 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.4 p -105.09 132.45 51.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -95.55 120.14 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.8 p -133.49 152.45 79.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.12 13.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -111.19 -11.97 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.75 120.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -68.04 146.87 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -117.81 173.45 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -146.72 129.87 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.539 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.5 m -122.81 121.27 35.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.12 155.46 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 82' ' ' THR . 14.0 m-85 -148.33 109.5 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.4 t -81.69 107.44 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.9 t -105.03 148.56 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.67 108.41 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.454 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 47.0 t -102.09 118.76 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -156.39 140.55 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 17' ' ' PRO . 9.9 p-10 -76.78 -29.71 56.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.9 23.13 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.77 153.64 0.62 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 0.37 5.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.3 p -166.66 136.47 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.53 166.44 36.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.75 30.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m -97.51 169.14 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -120.73 120.85 36.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -129.26 137.05 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -134.36 137.19 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 -62.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -51.9 164.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.9 p -127.59 43.2 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.3 117.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.79 166.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.87 103.7 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.14 97.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.06 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.79 113.34 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -83.97 150.82 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.5 m-85 -143.61 167.0 23.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.5 tm? -156.65 127.25 6.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.8 m -149.11 -175.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.472 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -130.63 169.58 13.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.627 0.727 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.71 91.69 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.58 -7.04 3.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.42 -175.5 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -108.97 108.67 19.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.02 108.14 13.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.51 174.76 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 14.1 ttp-105 -150.63 142.99 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -116.21 125.77 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mtp85 -71.78 114.4 9.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.4 mt -103.51 179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -131.17 -178.17 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -82.26 -6.81 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' VAL . 13.9 m-20 -109.4 -31.19 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.4 t -33.49 138.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -112.31 -39.87 4.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -144.28 178.49 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 35' ' ' ASN . 13.3 mt -139.02 146.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.4 t30 -128.84 108.78 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.9 m95 -83.89 132.68 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 HD22 ' C ' ' A' ' 41' ' ' VAL . 9.5 mt -132.28 161.96 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 39.5 ttp180 -151.2 117.45 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.77 25.81 15.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 47.47 5.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' C ' HD22 ' A' ' 37' ' ' LEU . 5.2 p -166.19 147.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -53.06 132.43 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 tp -84.26 148.59 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.48 149.76 49.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.3 mt-10 -99.63 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.8 p -161.85 -179.75 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -39.76 -33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -98.12 -60.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.3 m -66.74 138.25 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tpt180 -141.28 111.01 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.555 HG22 ' CD1' ' A' ' 36' ' ' TRP . 57.3 mt -98.58 101.85 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.3 p -85.34 16.33 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.33 -64.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.08 -0.0 11.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -135.77 120.11 17.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 76.1 t -99.08 138.81 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.106 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 50' ' ' ARG . 42.2 tt0 -137.49 116.24 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.9 t -120.9 115.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -80.26 147.91 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 1.7 t70 53.44 38.24 27.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 73.8 p -37.83 157.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.03 162.17 49.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.53 2.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.63 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -83.53 -24.08 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -49.17 172.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 -156.15 26.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.8 tp -114.18 98.75 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.421 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 28.1 m-85 -79.07 142.09 36.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.64 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.76 126.69 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' ASN . 12.1 t -117.98 122.56 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.9 p -104.18 134.57 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -96.19 104.98 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -114.82 156.64 44.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.17 6.08 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.2 t -113.62 -13.26 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.46 -143.09 8.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -156.13 111.38 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -87.56 168.19 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.7 m -150.55 131.55 14.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.565 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.9 m -124.96 123.63 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -94.04 159.43 15.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 82' ' ' THR . 11.9 m-85 -151.37 109.13 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.7 t -82.48 108.29 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.6 t -106.14 149.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -148.27 105.04 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.67 119.62 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -163.87 143.85 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.6 -18.52 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 108.99 8.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 mt -133.31 151.65 77.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.5 37.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -69.58 97.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -41.06 138.04 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -11.01 30.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.404 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.0 m -113.63 151.48 31.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 m -54.88 -58.13 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.1 t -115.9 141.86 47.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 57.5 p -34.82 -37.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -168.19 159.77 33.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -76.5 156.72 32.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.9 m -112.15 161.04 16.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.67 85.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.65 167.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.65 91.96 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.47 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.71 107.47 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -77.59 144.65 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -137.55 171.92 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.4 tm? -160.0 128.51 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' N ' HD11 ' A' ' 14' ' ' LEU . 35.5 m -149.92 -175.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.53 170.01 12.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.3 Cg_endo -69.74 95.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.2 -7.53 5.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.28 -175.25 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 tp -109.45 109.15 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HG11 ' A' ' 86' ' ' VAL . 63.0 tp -83.76 104.05 13.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -111.22 129.25 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.67 169.67 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -147.39 138.37 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.7 t -111.6 116.78 31.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -58.59 112.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.2 mt -101.93 167.85 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -127.68 172.82 10.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.41 -7.86 54.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 31' ' ' VAL . 51.2 m-20 -105.82 -32.61 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.1 t -32.59 141.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -120.74 -34.06 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.401 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.1 t -146.43 179.46 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 53' ' ' GLY . 9.6 mt -144.09 142.49 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -127.23 111.52 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.552 ' CD1' HG22 ' A' ' 51' ' ' ILE . 67.4 m95 -87.96 134.9 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -135.26 160.57 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 24.2 ttp85 -150.88 115.29 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.07 25.17 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 47.75 5.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.8 p -166.35 147.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.38 125.86 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.7 tp -75.14 150.08 38.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.98 152.78 48.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.4 mt-10 -100.25 157.04 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -154.34 -179.96 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -39.47 -35.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -98.22 -59.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.1 m -65.48 135.46 55.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.0 tpt180 -140.17 107.77 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.552 HG22 ' CD1' ' A' ' 36' ' ' TRP . 42.4 mt -96.47 102.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.4 p -85.08 15.48 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 107.79 -65.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -113.52 -3.6 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -132.2 130.41 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.55 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 69.3 t -112.85 126.26 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ARG . 43.3 tt0 -125.82 118.56 25.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 t -118.15 114.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -79.84 141.4 36.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 t0 58.53 40.25 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -38.81 159.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.21 161.54 50.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.63 2.67 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.59 -24.57 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -83.13 -22.52 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.9 p -51.45 173.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.48 -145.09 13.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -125.03 100.83 6.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.508 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.2 m-85 -82.72 141.01 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.5 111.67 7.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.6 p -96.52 127.43 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -118.48 119.2 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 p -102.52 130.21 49.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -88.57 120.13 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -135.98 152.66 76.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 0.01 6.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -114.09 -6.44 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.71 130.15 2.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 p -74.52 121.69 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -91.87 -179.64 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.7 m -156.03 134.2 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.54 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 2.2 m -127.76 122.93 34.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -93.48 160.73 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.54 ' CZ ' HG22 ' A' ' 82' ' ' THR . 12.7 m-85 -154.06 106.0 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -78.63 106.85 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 87' ' ' ASN . 87.7 t -102.63 141.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' N ' HG13 ' A' ' 86' ' ' VAL . 9.1 t30 -143.27 105.47 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 40.0 t -100.76 118.94 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -162.51 139.02 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -26.1 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.99 130.02 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 mp -138.31 145.74 48.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.741 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -72.1 -50.32 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.05 118.21 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t -93.8 105.94 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.805 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 m -52.44 131.96 34.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -67.59 94.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -139.75 162.86 34.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 -169.02 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -110.52 42.16 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 p -135.17 146.14 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.09 -57.83 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.67 165.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -100.29 122.5 43.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.4 t -110.26 93.14 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.23 115.58 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -83.36 147.75 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -142.03 167.11 22.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.8 tm? -155.17 126.25 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 14' ' ' LEU . 26.8 m -147.61 -174.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.27 170.19 11.97 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.6 Cg_endo -69.73 92.23 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.28 -9.57 3.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.97 -174.54 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD22 ' NE2' ' A' ' 22' ' ' GLN . 35.9 tp -110.1 108.22 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.5 tp -81.03 101.98 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.448 ' NE2' HD22 ' A' ' 20' ' ' LEU . 55.5 mt-30 -109.22 134.22 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.74 172.19 11.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -150.12 140.35 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -113.35 121.11 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 20.8 ptt85 -65.8 115.51 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' CD2' HG22 ' A' ' 73' ' ' THR . 61.8 mt -111.83 -175.25 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 8.9 ptm180 -149.31 -179.06 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.22 9.11 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.25 -34.36 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 28' ' ' ARG . 5.5 t -39.32 134.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -105.53 -42.03 5.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.99 178.01 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 HD11 ' C ' ' A' ' 53' ' ' GLY . 5.6 mt -138.23 142.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.3 t30 -128.76 102.85 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.527 ' CZ2' HG22 ' A' ' 56' ' ' VAL . 69.3 m95 -77.46 135.61 38.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mt -132.2 164.5 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.532 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 16.7 ttp85 -153.14 114.12 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.35 25.6 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.13 45.58 5.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.1 p -164.08 150.45 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.93 128.64 36.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.2 tp -81.76 148.12 29.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.33 160.09 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.3 mt-10 -108.89 161.61 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 p -159.6 -177.51 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -40.52 -35.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -97.82 -59.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.3 m -67.32 142.93 56.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.6 tpt180 -147.51 118.8 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.509 HG23 ' CD1' ' A' ' 36' ' ' TRP . 42.9 mt -105.95 102.96 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.0 p -83.56 11.6 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' C ' HD11 ' A' ' 34' ' ' ILE . . . 106.45 -61.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -114.98 -2.38 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -137.81 132.46 32.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 75.8 t -110.93 140.85 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' ARG . 32.7 tt0 -139.48 119.73 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.6 t -121.66 112.21 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -75.85 143.72 41.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.3 t70 53.5 43.92 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' ASP . 60.1 p -41.11 163.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.2 161.16 46.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.159 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.45 -25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 75.2 m-20 -83.76 -24.14 31.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.6 p -47.76 174.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.04 -155.64 26.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.0 tp -116.67 94.5 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 44.9 m-85 -76.35 137.86 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.74 116.78 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.6 p -97.31 125.03 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.1 t -114.85 119.15 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.415 HG22 ' CD2' ' A' ' 27' ' ' LEU . 43.0 p -105.85 135.03 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.4 m -90.78 112.17 23.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -126.62 151.75 73.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.17 8.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -113.05 -11.35 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.0 128.23 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -67.38 116.66 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' OD2' ' NH2' ' A' ' 26' ' ' ARG . 2.1 t70 -86.19 172.3 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -151.66 133.97 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' CZ ' ' A' ' 84' ' ' PHE . 1.2 m -128.84 116.77 19.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -89.55 158.04 17.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.554 ' CZ ' HG23 ' A' ' 82' ' ' THR . 17.5 m-85 -149.84 106.13 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 t -79.7 104.56 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.23 145.52 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.72 105.03 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.1 t -99.62 117.59 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -159.93 141.6 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -62.42 -15.15 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.82 106.16 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -131.81 151.52 78.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' SER . 54.1 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' PRO . 11.3 m -36.31 -46.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.96 142.24 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 164.62 33.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -172.65 160.05 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.4 t -114.22 160.86 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 60.35 47.76 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -102.56 -41.57 6.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -119.29 173.42 15.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.6 m -35.41 131.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -109.46 157.32 19.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 144.51 16.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.82 161.14 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.05 117.53 30.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.6 t -108.5 92.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.6 117.47 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -85.22 146.71 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.35 156.79 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -147.05 128.21 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.8 m -148.42 -175.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.59 169.58 13.25 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.69 91.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.51 -12.59 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.64 -176.16 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.6 tp -108.74 109.32 20.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.46 107.28 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -113.72 136.12 53.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -131.27 170.54 14.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -148.59 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -116.03 131.63 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 8.0 mtm105 -71.07 109.51 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.95 168.06 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' H ' ' CG2' ' A' ' 31' ' ' VAL . 19.6 mtp85 -127.01 166.79 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -12.86 61.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' VAL . 57.5 m-20 -103.93 -28.93 11.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.2 t -34.34 142.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -117.11 -35.13 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -149.95 178.36 8.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -139.4 142.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' ND2' HE22 ' A' ' 42' ' ' GLN . 2.3 t30 -125.49 106.03 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.562 ' CZ2' HG22 ' A' ' 56' ' ' VAL . 62.9 m95 -81.18 131.77 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -129.51 164.26 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 40.7 ttp180 -152.73 116.22 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.58 25.76 15.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.37 48.89 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.8 p -168.13 153.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.437 HE22 ' ND2' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -58.8 128.73 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.8 tp -79.75 153.93 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.68 151.0 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.85 159.46 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -157.63 178.94 9.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -37.76 -35.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -96.78 -59.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.7 m -63.58 140.68 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.197 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.6 tpt180 -144.16 110.47 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.562 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.5 mt -101.8 103.42 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -87.43 14.26 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.86 -61.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -120.33 -4.35 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -131.56 118.34 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.562 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 89.0 t -99.7 144.4 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ARG . 53.9 tt0 -142.66 117.37 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.7 t -119.53 110.07 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -75.72 139.81 42.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.1 t70 58.17 43.73 20.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' ASP . 60.3 p -40.27 162.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.55 160.9 46.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.53 -18.33 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.07 -14.98 32.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 m -52.04 173.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.52 -167.65 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.7 tp -107.74 98.08 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.409 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.5 m-85 -78.69 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.91 120.14 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p -100.19 125.2 46.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.2 t -115.23 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -102.64 130.35 49.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m -92.14 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.7 p -122.87 154.8 64.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 m -119.02 -7.87 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -145.55 12.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -157.25 116.75 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -90.33 168.28 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -150.95 122.26 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.551 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -116.48 120.02 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -92.05 159.43 15.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.551 ' CZ ' HG22 ' A' ' 82' ' ' THR . 15.1 m-85 -152.56 107.38 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -82.28 104.3 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.3 t -99.87 149.42 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -149.17 105.14 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.477 HG22 ' CG2' ' A' ' 15' ' ' VAL . 22.0 t -99.49 120.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -161.76 141.3 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -14.0 18.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.94 115.05 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.5 mt -137.35 150.11 67.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.31 13.76 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -39.04 -53.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 111.28 -173.91 16.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.63 30.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 m -147.55 127.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 m -123.77 110.5 14.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -90.07 -57.36 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -59.27 142.51 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.5 -174.79 13.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -41.51 144.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.853 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -128.74 130.04 46.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.18 113.84 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -139.33 163.59 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.1 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.31 103.78 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.0 t -103.69 99.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.03 116.48 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -85.56 145.21 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -139.56 164.51 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -153.18 125.56 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 ' N ' HD13 ' A' ' 14' ' ' LEU . 34.5 m -147.76 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.8 170.23 11.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.848 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.78 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -12.37 3.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.4 -174.41 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -110.87 106.38 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 tp -78.95 103.61 9.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -111.17 131.57 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -126.46 167.67 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -148.11 139.91 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.3 t -109.07 129.27 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -68.59 114.59 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -109.82 -174.85 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 1.7 ptm85 -153.51 -179.92 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.27 11.53 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' VAL . 38.4 m-20 -119.97 -35.26 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' HG2' ' A' ' 28' ' ' ARG . 6.0 t -37.2 139.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -116.02 -31.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -152.41 177.06 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 mt -140.52 143.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' VAL . 24.7 t30 -129.73 104.64 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CD1' HG21 ' A' ' 51' ' ' ILE . 73.7 m95 -80.1 140.97 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 41' ' ' VAL . 9.0 mt -140.4 166.03 25.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp-105 -154.15 118.13 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 59.11 25.4 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.71 43.62 6.76 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' C ' HD22 ' A' ' 37' ' ' LEU . 5.2 p -159.68 150.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.1 126.62 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.7 tp -76.28 148.81 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.38 156.41 44.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.9 mt-10 -103.98 164.57 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -160.32 -176.61 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.76 -31.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -102.04 -56.95 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 m -67.47 140.08 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -145.4 114.88 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 36' ' ' TRP . 40.0 mt -102.74 109.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -91.07 15.49 11.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.98 -62.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -117.57 3.05 12.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -141.22 125.75 17.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 36' ' ' TRP . 76.4 t -109.76 134.5 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -133.37 118.7 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.7 t -118.76 114.02 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.19 147.3 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.0 t70 48.09 46.65 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 60' ' ' ASP . 57.9 p -42.4 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -145.68 161.29 41.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 111.137 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.55 2.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 -25.76 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 66.2 m-20 -83.3 -23.01 32.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.1 p -50.89 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.27 -156.09 25.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.95 93.21 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -74.08 147.48 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.69 117.2 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.1 p -100.11 126.0 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' ASN . 4.8 t -116.68 120.36 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -104.99 136.29 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -92.66 112.0 23.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 p -127.57 151.43 75.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.88 7.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -112.96 -10.99 13.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.85 130.1 2.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 117.12 13.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.07 168.47 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -145.47 136.55 24.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -128.46 117.62 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -90.06 158.61 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.0 m-85 -150.7 107.74 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.94 98.87 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -95.62 146.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -145.97 104.98 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG13 ' CA ' ' A' ' 62' ' ' VAL . 42.0 t -99.86 117.49 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -160.35 142.07 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -27.81 67.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -86.52 127.12 34.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.55 152.09 57.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.68 33.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 p -49.97 156.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.22 149.55 9.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -4.78 14.73 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.64 2.227 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.1 p -55.21 138.28 45.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 p -157.74 153.14 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.8 m 37.3 51.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.19 -99.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -117.55 131.28 56.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t -102.28 96.39 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.6 102.35 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 m -125.31 170.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' OE1' ' NH1' ' A' ' 26' ' ' ARG . 5.4 pt-20 -95.28 114.41 26.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.0 t -110.52 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.71 115.49 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -84.84 149.51 25.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.9 m-85 -141.89 168.48 19.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.9 tm? -155.73 128.02 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 88' ' ' VAL . 28.4 m -150.48 -175.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.557 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.9 170.17 11.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.76 98.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.95 -9.73 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.41 -174.02 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.9 tp -110.0 110.27 21.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.09 108.75 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 10.0 mt-30 -114.21 131.62 56.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -125.0 164.23 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.2 ttp85 -142.12 137.78 31.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.1 t -113.43 121.13 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 26' ' ' ARG . 14.8 ptt180 -65.13 112.57 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 HD11 ' CD ' ' A' ' 54' ' ' GLU . 48.9 mt -99.21 -176.67 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -137.82 -178.89 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -2.49 58.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' VAL . 12.2 m-20 -113.1 -28.51 7.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.0 t -34.6 145.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -118.77 -34.13 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -151.49 178.64 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.89 139.4 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -124.92 108.76 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.46 ' CZ2' HG22 ' A' ' 56' ' ' VAL . 67.7 m95 -83.42 139.15 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 41' ' ' VAL . 9.1 mt -137.43 164.91 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -152.92 116.31 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 60.38 26.12 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.09 43.62 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.414 ' C ' HD21 ' A' ' 37' ' ' LEU . 2.9 p -160.4 146.45 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.72 128.96 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.3 tp -80.65 148.19 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.17 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.4 mt-10 -95.11 156.72 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -152.07 177.06 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -40.8 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -101.34 -57.37 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.6 m -67.57 141.19 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.8 tpt180 -143.74 114.35 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.409 ' CG1' ' HG2' ' A' ' 45' ' ' GLU . 48.9 mt -100.61 106.68 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.6 p -90.52 14.94 11.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.43 -69.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' CD ' HD11 ' A' ' 27' ' ' LEU . 3.2 pt-20 -114.46 1.12 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -133.94 127.3 32.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 77.0 t -109.03 130.2 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ARG . 41.1 tt0 -127.99 120.45 27.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.9 t -121.1 115.22 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -77.49 147.11 36.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 50.0 44.32 25.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.1 p -40.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.35 161.52 41.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.675 0.75 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.53 4.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.397 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.0 -16.46 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.85 -25.23 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -47.52 175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.26 -149.91 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.8 100.03 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -82.0 137.96 35.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.45 117.92 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 p -98.94 126.63 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -115.58 116.41 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 p -103.0 129.7 49.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -91.15 123.17 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 p -133.28 151.28 77.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.63 5.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -119.84 -4.36 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.3 125.04 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -71.88 155.16 40.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -122.73 179.63 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -151.89 130.78 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -126.36 115.95 20.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -88.36 157.79 18.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -149.57 108.78 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.4 t -82.05 110.45 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 87' ' ' ASN . 73.8 t -107.81 148.67 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' HG11 ' A' ' 86' ' ' VAL . 5.0 t30 -146.93 105.36 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.8 t -101.38 115.41 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -158.97 140.86 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -58.2 -15.61 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.45 111.09 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.4 mt -137.7 150.45 68.07 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.66 30.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.5 t -64.74 107.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 137.32 112.05 1.1 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -37.65 8.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.768 2.312 . . . . 0.0 112.29 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 m -82.11 140.54 33.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.8 t -102.34 123.93 47.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -123.41 -50.43 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -61.63 96.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.76 2.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -141.51 122.32 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -85.84 134.86 33.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.69 135.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -144.08 172.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.4 114.83 26.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -113.58 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -63.19 117.71 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -84.59 147.45 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' SER . 36.3 m-85 -143.07 160.31 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.541 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.4 tm? -151.85 123.25 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.452 ' N ' HD11 ' A' ' 14' ' ' LEU . 35.7 m -142.69 -174.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.94 169.54 13.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.71 . . . . 0.0 110.811 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.84 98.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.617 2.211 . . . . 0.0 112.345 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.85 -7.35 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.74 -174.4 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.9 tp -109.79 109.33 19.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 86' ' ' VAL . 66.3 tp -81.9 105.31 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.53 135.44 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -128.08 172.61 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 38.6 ttp180 -151.45 139.5 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -111.33 145.62 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -80.08 117.32 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 73' ' ' THR . 37.0 mt -114.85 178.84 4.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -154.55 170.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.73 -2.24 6.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.74 -36.17 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.498 ' CG2' ' HG2' ' A' ' 28' ' ' ARG . 2.8 t -38.33 139.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -117.67 -30.63 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -152.21 178.78 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.8 139.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -122.94 105.76 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.506 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 65.3 m95 -81.9 135.88 35.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -136.29 159.68 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 29.9 ttp85 -150.12 115.72 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 26.0 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.49 47.62 5.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.6 p -166.99 150.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -56.13 131.4 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 tp -81.05 147.01 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.7 145.28 50.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.7 mt-10 -96.94 154.93 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASN . 83.0 p -151.03 -177.81 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.3 m-20 -37.66 -40.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.2 mtt-85 -94.55 -61.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.6 m -58.44 137.73 57.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -143.66 113.02 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.506 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 49.0 mt -102.47 100.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.2 p -82.7 14.14 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 103.85 -61.7 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -115.46 -3.05 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -137.09 122.27 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG22 ' CZ2' ' A' ' 36' ' ' TRP . 75.2 t -104.3 140.2 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ARG . 30.5 tt0 -138.1 119.55 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.9 t -120.86 111.36 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.9 mt-30 -75.21 150.01 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.1 t70 49.61 41.72 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 60' ' ' ASP . 54.3 p -40.63 162.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.0 161.44 45.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.739 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 3.23 2.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.2 -26.76 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.13 -19.25 40.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 p -51.66 177.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.55 -152.67 23.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.9 tp -119.44 100.34 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.551 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.3 m-85 -80.83 137.17 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.72 120.22 19.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -102.33 125.12 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 t -117.11 117.72 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 HG21 ' CD2' ' A' ' 27' ' ' LEU . 43.6 p -97.81 146.19 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m -103.42 100.19 10.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.5 p -116.55 151.65 47.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.37 8.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.6 p -112.31 -13.73 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.76 125.7 2.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 p -71.32 119.81 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -90.65 174.03 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.6 m -146.78 133.15 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.553 HG22 ' CZ ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -125.72 121.43 33.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -92.88 154.66 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 19.5 m-85 -148.04 106.83 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -77.99 111.31 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 21' ' ' LEU . 53.0 t -109.53 139.78 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 86' ' ' VAL . 6.9 t30 -142.35 106.44 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.415 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 40.1 t -100.16 118.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -163.73 136.67 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -21.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.63 113.9 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 6.0 mt -135.54 146.9 59.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.2 3.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.8 p -163.36 143.71 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.55 -169.86 45.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 165.87 29.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.405 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.4 p -84.28 124.82 31.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.812 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -59.2 103.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -149.91 143.85 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -68.22 120.99 15.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.7 -177.56 41.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -109.14 -52.45 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -144.34 146.68 32.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.9 127.98 9.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.56 159.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -109.54 113.98 27.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.68 91.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.99 113.79 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 150.41 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' SER . 39.0 m-85 -143.97 166.64 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -155.67 124.46 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' N ' HD12 ' A' ' 14' ' ' LEU . 26.8 m -145.55 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.484 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.09 169.88 12.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.1 Cg_endo -69.79 94.86 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.37 -12.47 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.34 -175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 tp -109.82 109.79 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.8 tp -82.52 104.87 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.88 128.03 56.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -124.08 167.05 14.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 23.7 ttt180 -146.08 143.35 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.3 129.25 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -68.35 112.29 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD13 ' CD ' ' A' ' 54' ' ' GLU . 29.2 mt -100.38 170.53 8.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -124.46 178.79 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -3.9 58.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' VAL . 7.2 m-20 -111.15 -30.63 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.8 t -33.9 140.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -116.25 -35.93 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.82 178.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' CG2' ' SG ' ' A' ' 71' ' ' CYS . 9.6 mt -141.58 141.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -127.07 102.11 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.492 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 64.3 m95 -77.62 138.7 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.5 mt -135.22 159.19 42.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.507 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 22.9 ttp85 -150.36 116.12 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 62.94 24.99 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 47.71 5.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -167.17 146.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.61 128.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.1 tp -78.71 158.64 28.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.28 150.32 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.0 mt-10 -98.55 154.61 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ASN . 1.6 m -156.6 177.36 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -35.58 -35.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.2 mtm-85 -97.27 -61.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -64.8 138.09 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLU . 15.1 tpt85 -141.68 110.1 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 36.8 mt -102.32 102.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -86.58 17.56 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' C ' HD13 ' A' ' 34' ' ' ILE . . . 108.3 -66.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' CD ' HD13 ' A' ' 27' ' ' LEU . 3.4 pt-20 -116.85 4.88 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -138.58 123.91 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 79.8 t -106.67 135.54 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' ARG . 29.1 tt0 -134.31 118.14 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -118.8 112.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -77.5 140.51 39.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.2 t70 59.6 41.12 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 58.2 p -39.21 160.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 161.54 46.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.49 -26.41 12.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -83.31 -24.47 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.6 p -49.95 168.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.59 -158.86 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.37 94.82 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.507 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 38.0 m-85 -76.0 136.39 39.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.24 117.77 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -99.7 130.32 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -118.21 116.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -100.59 131.58 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.59 118.86 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.0 p -123.53 155.16 66.24 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.705 0.764 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.67 7.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 m -118.06 -11.05 10.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.19 -146.82 12.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 p -157.51 145.55 19.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -123.74 165.21 17.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.1 m -144.9 128.77 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.561 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 1.1 m -121.67 120.44 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.03 160.96 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CZ ' HG21 ' A' ' 82' ' ' THR . 14.1 m-85 -153.76 106.46 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.1 t -79.33 105.76 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.6 t -103.05 151.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -151.15 105.85 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 t -99.94 119.92 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -164.0 139.04 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -23.57 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.28 129.96 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mp -135.51 147.84 63.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -14.3 36.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.1 p -120.9 108.15 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.51 -104.64 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.34 32.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -106.31 -47.91 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -98.96 120.46 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -61.23 115.97 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -84.37 150.52 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -143.93 161.51 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -149.93 126.32 10.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.937 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.0 m -147.89 -174.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.495 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -133.98 170.19 11.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.93 -6.65 4.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -89.51 -173.83 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.2 tp -110.75 107.78 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.7 tp -80.17 102.02 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -109.49 133.88 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.6 mt -128.62 163.46 25.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 12.7 ttm105 -139.56 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 t -112.82 124.47 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.9 mtp-105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 mt -143.94 142.13 24.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -125.0 112.3 16.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.536 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.2 m95 -87.12 131.56 34.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.2 mt -131.17 165.1 24.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.826 ' O ' HG12 ' A' ' 41' ' ' VAL . 28.3 ttp85 -153.59 115.34 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.05 25.2 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.42 43.13 6.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -159.86 148.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.325 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.05 126.76 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -79.19 151.74 31.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.01 157.94 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.544 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -102.75 161.86 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 t -159.9 -179.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -40.39 -35.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -98.72 -55.23 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG22 ' A' ' 58' ' ' VAL . 14.1 m -67.84 141.11 56.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.9 tpt180 -145.41 113.88 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.544 HD12 ' CG ' ' A' ' 45' ' ' GLU . 51.2 mt -101.68 103.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.4 p -88.51 20.3 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.457 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 102.46 -67.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.34 1.99 13.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -137.4 123.38 20.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 57.0 t -104.08 150.6 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.653 ' CG ' HD11 ' A' ' 20' ' ' LEU . 34.7 tt0 -147.98 120.06 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 49' ' ' THR . 8.7 t -122.23 105.39 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.45 143.82 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.0 t70 55.0 42.2 31.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 59.3 p -41.07 163.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.26 45.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.42 2.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.1 -17.07 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -91.58 -19.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.2 166.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.63 -159.14 28.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 tp -114.9 98.33 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 42.8 m-85 -78.86 142.2 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.72 117.09 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.6 p -99.98 125.63 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.71 119.24 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -99.43 128.46 45.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -148.27 137.14 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.4 m -130.06 119.75 23.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.17 156.29 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -148.24 108.64 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -83.82 102.33 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 87' ' ' ASN . 38.1 t -98.12 153.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 105.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.937 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.9 t -99.79 119.35 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -162.39 143.57 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 83' ' ' TYR . 40.0 t . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' SER . 9.2 tt0 -59.85 121.27 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.34 152.75 22.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.0 m-85 -147.66 156.26 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.0 tm? -144.94 127.99 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.996 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.8 m -148.19 -175.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -133.2 170.26 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.75 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.0 -12.22 4.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.68 -173.58 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD11 ' CG ' ' A' ' 57' ' ' GLU . 47.1 tp -112.03 109.69 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 tp -82.8 104.9 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -111.02 131.02 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.88 168.88 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -147.67 144.17 28.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.34 115.85 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.891 0.377 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 18.4 mt -140.82 141.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -124.18 106.94 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 62.7 m95 -83.1 135.38 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 42' ' ' GLN . 11.6 mt -136.07 161.05 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.674 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.8 ttp180 -149.22 113.37 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.3 25.59 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.38 41.92 7.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 38' ' ' ARG . 1.7 p -159.6 143.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -51.07 128.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.55 ' HG ' HD11 ' A' ' 51' ' ' ILE . 19.8 tp -79.55 147.47 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.34 154.32 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.5 mt-10 -100.91 155.27 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -151.03 -179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 47' ' ' ASN . 12.0 p-10 -42.66 -34.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -98.32 -55.51 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 HG22 ' A' ' 58' ' ' VAL . 28.0 m -65.83 139.07 58.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.4 tpt180 -143.9 108.76 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.55 HD11 ' HG ' ' A' ' 43' ' ' LEU . 48.3 mt -97.95 105.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -91.39 26.61 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 98.8 -68.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.3 pt-20 -118.71 8.59 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.35 117.4 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 51' ' ' ILE . 69.9 t -103.12 140.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.678 ' CG ' HD11 ' A' ' 20' ' ' LEU . 50.1 tt0 -138.71 118.02 12.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 HG23 ' A' ' 49' ' ' THR . 8.3 t -118.15 108.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -74.11 143.25 45.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.7 t70 54.65 42.59 31.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 51.4 p -41.05 163.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.36 45.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.26 2.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.55 -19.14 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -88.14 -24.34 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -44.82 170.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 -163.66 28.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.9 tp -110.32 97.61 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 13.6 m-85 -77.56 138.45 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.92 117.16 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -101.05 125.14 47.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 80' ' ' ASP . 10.5 t -115.24 116.23 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -99.18 128.11 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.864 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.417 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.2 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.415 HG23 HG22 ' A' ' 72' ' ' VAL . 6.2 m -155.56 133.81 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.499 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -127.54 119.19 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.662 ' HB2' HG22 ' A' ' 10' ' ' VAL . 71.1 m-85 -91.92 155.52 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.2 m-85 -147.66 106.11 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' PHE . 41.0 t -80.34 105.86 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.2 t -103.14 152.72 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.01 106.34 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.996 HG22 ' CG2' ' A' ' 15' ' ' VAL . 55.3 t -100.78 119.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -162.34 144.0 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 15.0 tt0 -59.39 113.35 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -83.97 146.25 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 11' ' ' GLU . 45.2 m-85 -140.67 167.26 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.8 tm? -156.22 128.07 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.951 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.9 m -149.23 -174.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.1 169.85 12.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.77 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.07 -11.41 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.76 -174.19 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.0 tp -111.27 107.72 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -80.6 107.62 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -113.42 131.52 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -125.72 169.27 12.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -147.07 142.5 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.28 115.34 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 33' ' ' SER . 9.4 mt -143.44 140.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -124.16 106.75 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 69.0 m95 -81.15 134.73 35.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 42' ' ' GLN . 10.1 mt -133.32 162.22 32.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.574 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 31.3 ttp180 -152.02 114.02 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 63.22 25.9 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.21 43.54 7.01 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -160.43 148.9 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.5 tp60 -58.47 125.94 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.42 153.54 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.69 159.17 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 3.5 mt-10 -103.33 162.17 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 t -160.02 -176.42 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -44.96 -37.49 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -96.02 -52.81 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 HG22 ' A' ' 58' ' ' VAL . 12.9 m -68.52 139.76 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.7 tpp180 -144.32 113.6 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 56' ' ' VAL . 57.3 mt -105.44 110.08 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -91.17 7.37 41.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.2 -57.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -122.3 -3.06 8.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -134.55 122.7 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 79.8 t -102.81 147.13 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.5 tt0 -144.43 118.55 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.552 HG22 HG23 ' A' ' 49' ' ' THR . 13.9 t -120.09 108.43 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -72.51 142.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.2 t70 53.42 44.79 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 38.4 p -41.97 165.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.26 161.13 43.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.723 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.88 -17.53 14.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -90.02 -22.2 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.77 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.86 -152.48 24.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.19 96.77 5.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.6 m-85 -77.57 141.6 39.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.52 115.15 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.8 p -96.64 127.48 42.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.42 117.4 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -98.56 140.6 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 m -151.83 133.06 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.6 m -126.75 119.29 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -91.43 157.73 16.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -149.41 108.98 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.68 106.33 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.4 t -102.11 151.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -151.19 105.07 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.951 HG22 ' CG2' ' A' ' 15' ' ' VAL . 54.7 t -100.02 119.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -161.88 143.7 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.74 108.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -80.05 149.43 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.4 m-85 -141.09 171.97 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.5 tm? -158.43 125.32 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.981 ' CG2' HG22 ' A' ' 88' ' ' VAL . 33.3 m -147.76 -175.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.489 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.33 169.85 12.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.71 93.36 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.97 -8.86 3.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -86.66 -174.43 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.558 HD11 ' CG ' ' A' ' 57' ' ' GLU . 41.8 tp -110.05 107.55 17.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -79.58 101.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -109.06 132.75 53.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -125.69 174.65 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -151.69 140.88 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.2 t -114.63 115.19 26.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.0 mt -139.96 140.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -125.54 105.01 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.499 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 70.2 m95 -78.98 137.37 37.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' GLN . 11.9 mt -135.21 162.08 33.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.817 ' O ' HG12 ' A' ' 41' ' ' VAL . 21.4 ttp85 -151.4 113.61 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.61 25.76 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.74 43.32 6.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.7 p -160.74 147.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -55.87 128.4 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 51' ' ' ILE . 37.3 tp -79.96 146.3 32.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.17 152.83 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -97.74 157.8 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -153.67 178.98 9.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -38.93 -35.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -100.31 -54.09 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 58' ' ' VAL . 7.1 m -65.74 138.61 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLU . 11.6 tpt180 -143.38 114.38 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 43' ' ' LEU . 49.5 mt -105.42 102.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.9 p -83.59 13.1 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 106.88 -61.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.19 -2.45 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -135.94 126.57 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 74.7 t -105.09 145.42 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.558 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.5 tt0 -144.09 118.97 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 49' ' ' THR . 9.9 t -121.34 111.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -74.74 144.19 43.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.9 t70 52.74 44.11 30.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.3 p -41.44 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -144.46 160.81 46.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.135 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.37 2.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.68 -18.48 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 67.0 m-20 -89.35 -20.22 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -50.61 176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.41 -156.41 26.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 83' ' ' TYR . 49.7 tp -117.58 95.35 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 51.2 m-85 -76.42 138.65 40.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.64 117.44 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.3 p -98.66 126.15 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -114.18 117.45 55.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -104.39 129.54 52.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.869 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -151.29 135.39 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.3 m -130.29 117.99 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' HB3' HD11 ' A' ' 68' ' ' LEU . 75.4 m-85 -89.62 159.18 17.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 82' ' ' THR . 16.7 m-85 -150.79 106.85 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.7 t -80.4 107.48 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.33 150.28 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -150.24 105.39 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.981 HG22 ' CG2' ' A' ' 15' ' ' VAL . 46.9 t -100.87 117.29 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -161.23 138.17 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.795 0.331 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.83 111.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -80.32 149.41 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' SER . 30.1 m-85 -144.93 161.58 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.775 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.3 tm? -151.92 128.48 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.967 ' CG2' HG22 ' A' ' 88' ' ' VAL . 27.7 m -148.91 -174.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -130.76 170.34 11.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.78 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.33 -8.08 4.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.87 -174.51 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.482 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.4 tp -110.56 107.12 16.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -80.73 105.33 11.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -112.58 137.0 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.67 173.47 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -149.38 145.81 27.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.7 t -118.06 124.82 49.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.4 mt -136.53 140.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -122.96 104.64 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.583 ' CD1' HG23 ' A' ' 51' ' ' ILE . 70.5 m95 -78.87 134.63 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 42' ' ' GLN . 12.6 mt -132.41 162.78 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG12 ' A' ' 41' ' ' VAL . 27.1 ttp85 -152.25 115.2 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.9 26.29 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.58 43.76 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 38' ' ' ARG . 1.4 p -162.69 144.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.537 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.6 tp-100 -50.6 129.75 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' A' ' 51' ' ' ILE . 50.3 tp -79.38 152.89 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.61 154.88 47.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.8 158.62 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.5 p -154.37 -179.73 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -43.72 -32.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.3 mtt-85 -100.4 -54.4 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.537 HG23 HG22 ' A' ' 58' ' ' VAL . 31.6 m -64.86 143.1 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -146.37 110.53 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 36' ' ' TRP . 51.0 mt -100.77 102.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.5 p -84.92 15.03 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 102.1 -59.03 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -119.23 2.13 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.02 125.39 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.505 HG23 ' CE2' ' A' ' 36' ' ' TRP . 76.5 t -107.21 136.03 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' CG ' HD11 ' A' ' 20' ' ' LEU . 29.3 tt0 -137.58 116.4 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 HG23 ' A' ' 49' ' ' THR . 11.4 t -118.58 117.72 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.5 mt-30 -79.12 153.51 30.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 46.0 41.54 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 75.2 p -38.51 158.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.3 161.84 48.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 1.52 4.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.388 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.18 -21.75 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.71 -21.87 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -52.11 173.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.67 -152.76 24.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.434 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.82 98.53 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.9 m-85 -78.75 147.51 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.68 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.7 p -94.93 126.28 40.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -114.49 117.24 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 p -100.18 131.72 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -147.79 127.71 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.8 m -120.85 118.66 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -91.0 159.52 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 82' ' ' THR . 10.0 m-85 -151.22 106.51 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.3 t -80.14 103.44 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.86 146.58 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -146.96 106.61 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.967 HG22 ' CG2' ' A' ' 15' ' ' VAL . 35.3 t -101.12 119.4 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -163.29 138.03 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -60.65 119.28 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -88.13 148.76 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 41.3 m-85 -141.89 169.15 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.5 tm? -157.88 129.92 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.987 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.6 m -151.27 -175.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.79 170.16 12.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.7 96.0 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.48 -10.26 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -84.2 -173.78 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD11 ' CG ' ' A' ' 57' ' ' GLU . 50.8 tp -111.7 106.2 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.97 108.5 12.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -115.01 126.39 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.34 160.69 26.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 13.5 ttp85 -136.79 135.63 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.1 t -97.28 145.71 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 mt -141.79 143.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.0 t30 -131.4 103.28 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 77.5 m95 -75.95 141.75 42.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.4 mt -142.13 159.77 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.818 ' O ' HG12 ' A' ' 41' ' ' VAL . 45.2 ttp180 -148.15 117.77 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.05 25.02 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 48.19 5.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.818 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.6 p -166.22 148.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.52 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.7 tp-100 -55.74 128.33 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HG ' HD11 ' A' ' 51' ' ' ILE . 32.3 tp -77.54 148.9 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.37 148.31 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -98.73 159.96 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ARG . 88.7 p -159.96 174.86 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' SER . 15.2 m-20 -35.37 -34.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 83.5 mtm-85 -96.36 -61.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 58' ' ' VAL . 21.8 m -64.03 141.29 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.4 tpt180 -144.3 108.21 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.519 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 49.1 mt -99.75 103.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -87.94 21.38 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 101.39 -67.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.18 11.13 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -146.49 129.3 16.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 90.7 t -111.67 139.9 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.563 ' CG ' HD11 ' A' ' 20' ' ' LEU . 55.8 tt0 -139.14 117.46 11.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.563 HG22 HG23 ' A' ' 49' ' ' THR . 6.0 t -118.85 110.52 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' HD13 ' A' ' 20' ' ' LEU . 69.1 mt-30 -75.92 140.69 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.4 t70 58.28 43.53 20.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.4 p -41.23 163.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.54 161.01 45.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 3.58 2.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.29 -26.88 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.94 -28.41 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -46.64 172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.77 -149.57 21.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.5 97.37 5.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.4 145.42 35.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.19 115.94 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.7 p -98.0 126.66 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ASN . 5.2 t -114.24 117.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -102.87 130.9 50.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.0 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -160.46 129.17 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -123.69 116.02 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -88.28 158.66 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' A' ' 82' ' ' THR . 27.5 m-85 -151.15 106.44 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' PHE . 6.6 t -78.64 109.57 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.43 151.58 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.64 105.12 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.987 HG22 ' CG2' ' A' ' 15' ' ' VAL . 51.2 t -100.52 117.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.4 t -159.78 143.4 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.781 0.324 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.21 114.36 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -81.78 150.11 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 47.4 m-85 -142.95 169.56 17.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.63 HD13 ' N ' ' A' ' 15' ' ' VAL . 3.4 tm? -158.26 132.98 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.962 ' CG2' HG22 ' A' ' 88' ' ' VAL . 30.6 m -155.93 -174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.496 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.13 170.18 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.2 Cg_endo -69.71 96.78 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.68 -15.53 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.35 -174.54 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.936 HD11 ' CG ' ' A' ' 57' ' ' GLU . 59.3 tp -110.39 114.68 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -85.47 105.47 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -109.18 138.9 44.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -135.05 162.54 32.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.6 ttm180 -138.57 140.42 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -112.84 125.5 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 27.7 mt -138.25 142.97 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -124.38 108.61 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.6 m95 -82.74 130.37 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.3 mt -128.54 166.64 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.714 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.1 ttp85 -155.34 115.3 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 63.35 25.34 14.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.92 43.45 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.7 p -161.59 152.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.447 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.4 tp-100 -57.23 133.32 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 38' ' ' ARG . 31.3 tp -88.24 147.61 24.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.08 153.77 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.589 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -97.76 165.5 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' ARG . 1.2 t -161.28 174.54 13.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.3 m120 -36.11 -31.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' SER . 82.4 mtm180 -100.86 -59.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG22 ' A' ' 58' ' ' VAL . 17.8 m -62.79 136.81 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -139.14 109.32 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.4 mt -100.31 102.69 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -86.4 12.84 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 109.5 -63.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt-20 -119.69 4.05 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -139.25 118.88 13.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 74.9 t -98.4 148.53 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.936 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.6 tt0 -148.17 109.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 49' ' ' THR . 15.9 t -112.96 110.63 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -74.94 145.34 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.8 t70 54.37 41.31 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.8 p -40.16 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.67 161.22 44.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.096 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.8 -18.57 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 59.8 m-20 -90.33 -23.19 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -47.92 174.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.98 -156.17 26.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 tp -116.71 99.87 7.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.585 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.1 m-85 -81.17 145.55 30.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.59 116.76 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.2 p -97.67 126.86 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.29 119.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -102.65 129.63 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.851 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.9 m -150.8 134.21 16.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.4 m -127.16 119.99 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.405 ' C ' ' CG ' ' A' ' 84' ' ' PHE . 3.0 m-85 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 82' ' ' THR . 16.8 m-85 -156.7 107.27 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.5 t -83.65 104.88 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.39 151.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.15 105.06 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.962 HG22 ' CG2' ' A' ' 15' ' ' VAL . 25.9 t -100.98 118.24 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 140.6 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.44 113.37 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -83.0 147.68 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -143.67 160.88 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.774 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -150.8 124.12 8.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.919 ' CG2' HG22 ' A' ' 88' ' ' VAL . 34.3 m -144.85 -175.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.6 169.27 14.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 90.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -9.27 2.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.21 -174.79 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.534 HD11 ' CG ' ' A' ' 57' ' ' GLU . 30.1 tp -109.83 107.37 17.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.8 tp -78.54 102.27 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.6 133.24 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.5 mt -129.18 166.88 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 26.7 ttp180 -142.98 142.87 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' GLU . 54.0 t -115.5 124.5 51.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.5 mt -138.55 149.09 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.9 t30 -132.22 101.84 5.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.641 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.4 m95 -78.62 133.35 37.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.8 mt -133.68 161.36 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.826 ' O ' HG12 ' A' ' 41' ' ' VAL . 37.6 ttp180 -151.99 116.41 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.61 25.46 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.44 7.33 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 38' ' ' ARG . 9.8 p -163.15 152.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.3 tp60 -56.78 136.08 55.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HG ' HD11 ' A' ' 51' ' ' ILE . 49.0 tp -87.35 152.13 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.01 148.66 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.61 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -99.61 158.43 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -158.78 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -39.82 -35.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -97.33 -61.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.619 HG23 HG22 ' A' ' 58' ' ' VAL . 15.9 m -65.72 137.4 57.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.4 tpt180 -141.37 111.04 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.61 HD12 ' CG ' ' A' ' 45' ' ' GLU . 53.5 mt -97.38 99.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -82.86 17.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 102.21 -70.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' CYS . 3.8 pt-20 -106.97 -7.78 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -130.94 139.68 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.641 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 85.3 t -117.24 141.93 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.534 ' CG ' HD11 ' A' ' 20' ' ' LEU . 29.4 tt0 -139.43 119.18 13.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.619 HG22 HG23 ' A' ' 49' ' ' THR . 7.7 t -120.97 108.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -72.91 146.78 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.5 t70 51.29 42.37 28.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -41.02 163.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.38 161.43 44.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.612 0.72 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 1.49 4.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.62 -23.0 14.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.01 -20.85 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -50.08 174.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.8 -163.57 27.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.3 tp -109.98 98.54 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.5 m-85 -77.57 147.97 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.07 111.78 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -95.6 124.9 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 35' ' ' ASN . 38.5 t -115.26 122.42 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 p -101.92 129.21 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.461 HG23 HG22 ' A' ' 72' ' ' VAL . 6.6 m -149.38 124.29 9.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.1 m -120.45 121.84 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.57 157.95 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 82' ' ' THR . 10.4 m-85 -149.88 110.97 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 t -84.72 102.17 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -100.41 150.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.483 ' HB3' HD22 ' A' ' 14' ' ' LEU . 4.2 t30 -150.06 106.11 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.919 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.9 t -100.08 119.98 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -163.82 138.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 83' ' ' TYR . 96.0 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.43 119.56 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -89.28 146.29 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -140.28 167.51 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.921 ' CG2' HG22 ' A' ' 88' ' ' VAL . 31.5 m -143.23 -174.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.51 169.65 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.2 Cg_endo -69.78 99.0 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.7 -8.6 6.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -86.0 -174.1 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.595 HD11 ' HG2' ' A' ' 57' ' ' GLU . 46.9 tp -111.26 106.66 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.74 109.58 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.4 134.57 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -127.5 173.89 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.6 ttm105 -152.76 139.97 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.52 116.78 27.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mt -139.87 142.43 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -126.14 106.88 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.521 ' CD1' HG23 ' A' ' 51' ' ' ILE . 68.4 m95 -80.74 134.47 35.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -132.36 157.33 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.559 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 29.7 ttp180 -146.71 114.27 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.04 25.55 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.29 50.56 4.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -170.22 148.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 111.14 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 129.25 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 51' ' ' ILE . 36.8 tp -78.77 157.48 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.82 153.08 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.041 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.39 160.58 14.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.17 -178.14 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.07 -23.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -108.74 -58.3 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.53 HG23 HG22 ' A' ' 58' ' ' VAL . 33.6 m -65.34 136.05 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.1 tpt180 -137.91 110.12 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.6 mt -99.84 103.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -89.24 19.7 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.41 -67.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -116.18 -1.74 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -132.37 119.86 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 82.1 t -102.47 140.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' A' ' 20' ' ' LEU . 37.8 tt0 -139.16 115.22 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.53 HG22 HG23 ' A' ' 49' ' ' THR . 11.3 t -117.3 113.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HG2' HD13 ' A' ' 20' ' ' LEU . 76.3 mt-30 -78.4 146.54 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t70 54.34 39.6 31.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 54.0 p -39.05 159.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.85 161.79 44.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -19.4 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.8 -25.55 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -45.42 169.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.13 -164.23 28.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.77 95.31 5.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.559 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.7 m-85 -77.86 137.57 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.65 121.46 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.7 p -101.97 125.11 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 81' ' ' THR . 19.5 t -114.9 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -100.99 128.47 47.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.851 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.451 HG23 HG22 ' A' ' 72' ' ' VAL . 4.1 m -158.49 129.87 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -124.59 118.11 25.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.556 ' HB2' HG22 ' A' ' 10' ' ' VAL . 97.0 m-85 -89.64 155.6 19.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -147.58 108.14 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -79.95 107.25 12.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.53 146.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.434 ' HB3' HD22 ' A' ' 14' ' ' LEU . 3.0 t30 -146.51 105.66 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.921 HG22 ' CG2' ' A' ' 15' ' ' VAL . 50.5 t -99.95 120.7 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -164.55 145.04 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.36 116.04 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -86.0 146.2 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.8 m-85 -142.47 159.96 41.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.9 tm? -149.88 128.73 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.993 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.0 m -149.13 -174.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.503 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.32 170.49 11.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.8 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.03 -7.85 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -85.97 -175.38 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 tp -109.95 108.5 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.48 109.87 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -118.33 125.35 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.84 175.2 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 21.6 ttt-85 -150.54 142.69 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.5 t -118.59 122.36 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 16.7 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.1 mt -140.51 142.14 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -123.95 110.77 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.587 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.7 m95 -85.25 133.2 34.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.3 mt -132.8 164.48 26.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.725 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.2 ttp180 -152.74 116.47 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.3 27.3 16.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.15 7.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.5 p -163.14 146.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.313 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.513 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.5 tp-100 -52.57 133.45 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 51' ' ' ILE . 36.7 tp -86.62 148.86 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.35 151.98 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.047 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.8 mt-10 -98.29 154.36 17.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ARG . 99.2 p -151.51 173.92 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 29.2 t-20 -34.45 -32.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' SER . 68.1 mtm-85 -99.82 -60.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.615 HG23 HG22 ' A' ' 58' ' ' VAL . 24.8 m -63.46 143.59 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.4 tpt180 -146.56 119.51 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.1 mt -107.82 103.7 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -87.87 12.98 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.88 -67.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.57 1.11 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -136.41 123.87 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 97.4 t -103.53 143.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' ARG . 51.2 tt0 -142.39 118.06 10.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.615 HG22 HG23 ' A' ' 49' ' ' THR . 10.7 t -121.98 116.04 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -78.98 147.58 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.5 t70 50.12 43.66 25.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 65.5 p -39.78 161.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.58 161.48 49.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -24.19 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -84.95 -22.37 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -50.43 177.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.67 -157.81 24.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.8 tp -113.94 101.29 9.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 17.7 m-85 -81.81 144.44 31.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.8 118.38 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.4 p -100.92 125.57 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.2 119.91 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.92 0.391 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -151.41 138.89 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.476 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.2 m -131.38 121.47 24.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -93.43 156.2 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 12.4 m-85 -148.58 107.35 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t -79.38 109.32 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.63 148.23 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -148.3 105.01 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.993 HG22 ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -101.0 115.68 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -158.27 142.55 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.45 113.76 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.54 147.8 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' SER . 37.8 m-85 -142.46 161.35 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -150.94 127.89 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.942 ' CG2' HG22 ' A' ' 88' ' ' VAL . 32.3 m -149.43 -175.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.558 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.92 169.72 12.99 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.8 -12.92 4.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.56 -174.06 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.1 tp -111.24 106.35 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.3 tp -78.85 108.48 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -114.93 135.41 54.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -131.85 172.31 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttp-105 -152.48 142.76 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.83 126.71 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.887 0.375 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.3 mt -140.24 140.39 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 t30 -127.81 102.92 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.502 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 69.7 m95 -79.11 137.89 37.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' GLN . 10.2 mt -136.22 163.82 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.832 ' O ' HG12 ' A' ' 41' ' ' VAL . 31.8 ttp85 -152.43 115.27 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.39 26.4 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.66 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.832 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -162.82 147.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -55.27 128.18 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 38' ' ' ARG . 31.3 tp -81.87 148.27 28.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.56 166.53 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -108.45 162.55 14.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 t -159.55 175.3 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -39.46 -31.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -99.28 -55.87 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.4 m -68.9 139.01 55.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.9 tpt180 -141.67 109.2 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 53' ' ' GLY . 57.9 mt -100.68 105.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -86.15 17.28 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 105.87 -63.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.28 5.91 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.39 122.49 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 72.9 t -102.52 134.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' ARG . 30.9 tt0 -136.01 116.56 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -118.59 118.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -80.15 141.42 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.7 t70 55.0 45.01 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.5 p -40.44 162.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.55 161.59 43.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.152 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 -24.23 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 73.9 m-20 -85.1 -23.23 28.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -49.84 176.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.19 -154.73 25.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 tp -116.88 95.45 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.3 m-85 -75.79 139.45 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.92 116.79 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -99.84 126.61 45.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 81' ' ' THR . 17.2 t -117.42 118.82 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -104.66 133.17 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 HG22 ' A' ' 72' ' ' VAL . 6.2 m -152.19 129.27 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.3 m -123.15 120.12 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -92.23 156.9 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 82' ' ' THR . 13.9 m-85 -150.2 106.13 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -79.61 108.41 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.87 141.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.58 ' HB3' HD22 ' A' ' 14' ' ' LEU . 10.9 t30 -140.25 105.25 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.942 HG22 ' CG2' ' A' ' 15' ' ' VAL . 38.2 t -100.14 115.94 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -160.31 139.77 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.6 113.04 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 t -82.9 150.08 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.3 m-85 -141.32 174.08 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -162.68 124.04 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.01 ' CG2' HG22 ' A' ' 88' ' ' VAL . 33.2 m -146.68 -174.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.502 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -134.03 170.36 11.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 94.8 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.51 -6.89 4.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.87 -174.11 4.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.669 HD11 ' CG ' ' A' ' 57' ' ' GLU . 45.1 tp -111.05 107.61 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -80.12 102.74 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -108.69 128.54 54.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.36 164.6 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 44.9 ttt180 -141.55 144.67 34.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.1 t -120.35 116.06 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 mt -139.61 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.5 t30 -130.18 101.86 5.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 65.0 m95 -78.11 137.53 38.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.0 mt -135.39 160.66 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.785 ' O ' HG12 ' A' ' 41' ' ' VAL . 30.7 ttp180 -151.15 115.0 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.24 25.87 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.52 44.63 7.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 38' ' ' ARG . 7.4 p -163.59 153.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.5 tp-100 -58.34 133.29 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.43 155.87 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.49 152.49 51.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.7 mt-10 -99.82 157.78 16.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -157.18 -178.16 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -42.79 -35.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -96.51 -56.53 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 58' ' ' VAL . 16.7 m -67.42 135.41 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.8 tpt180 -140.56 106.23 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 36.1 mt -95.66 105.61 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.1 p -93.14 30.35 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.445 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 97.54 -69.73 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -118.8 6.61 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -137.55 117.45 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 51' ' ' ILE . 69.4 t -103.16 141.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.669 ' CG ' HD11 ' A' ' 20' ' ' LEU . 28.5 tt0 -138.86 117.21 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 49' ' ' THR . 10.0 t -117.39 108.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.402 ' HG2' HD13 ' A' ' 20' ' ' LEU . 62.8 mt-30 -74.4 142.05 45.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.9 t0 56.38 42.72 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 51.8 p -41.59 164.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.28 161.17 45.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.32 2.86 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.677 2.252 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.99 -21.17 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.31 -21.1 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -47.91 174.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.54 -163.7 27.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.0 tp -110.24 95.26 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.474 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.0 m-85 -74.86 137.51 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.11 117.16 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -99.11 125.59 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 35' ' ' ASN . 13.0 t -113.98 119.08 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.4 p -105.09 132.45 51.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -146.72 129.87 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.5 m -122.81 121.27 35.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.12 155.46 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.476 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 14.0 m-85 -148.33 109.5 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.4 t -81.69 107.44 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.9 t -105.03 148.56 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.67 108.41 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.01 HG22 ' CG2' ' A' ' 15' ' ' VAL . 47.0 t -102.09 118.76 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -156.39 140.55 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.484 ' HB3' ' CG ' ' A' ' 17' ' ' PRO . 9.9 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.796 0.331 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.79 113.34 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -83.97 150.82 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.5 m-85 -143.61 167.0 23.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.5 tm? -156.65 127.25 6.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.914 ' CG2' HG22 ' A' ' 88' ' ' VAL . 24.8 m -149.11 -175.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.48 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -130.63 169.58 13.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.627 0.727 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.71 91.69 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.58 -7.04 3.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.42 -175.5 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 57' ' ' GLU . 47.8 tp -108.97 108.67 19.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.02 108.14 13.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.51 174.76 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 14.1 ttp-105 -150.63 142.99 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -116.21 125.77 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mtp85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 mt -139.02 146.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.4 t30 -128.84 108.78 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.9 m95 -83.89 132.68 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.5 mt -132.28 161.96 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.796 ' O ' HG12 ' A' ' 41' ' ' VAL . 39.5 ttp180 -151.2 117.45 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.77 25.81 15.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 47.47 5.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.2 p -166.19 147.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.544 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.5 tp-100 -53.06 132.43 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD11 ' A' ' 51' ' ' ILE . 26.3 tp -84.26 148.59 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.48 149.76 49.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.553 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -99.63 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.8 p -161.85 -179.75 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -39.76 -33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -98.12 -60.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 58' ' ' VAL . 22.3 m -66.74 138.25 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tpt180 -141.28 111.01 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.621 HG23 ' CD1' ' A' ' 36' ' ' TRP . 57.3 mt -98.58 101.85 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.3 p -85.34 16.33 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.33 -64.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.08 -0.0 11.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -135.77 120.11 17.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.584 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 76.1 t -99.08 138.81 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.106 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' CG ' HD11 ' A' ' 20' ' ' LEU . 42.2 tt0 -137.49 116.24 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 49' ' ' THR . 8.9 t -120.9 115.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -80.26 147.91 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 1.7 t70 53.44 38.24 27.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 73.8 p -37.83 157.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -141.03 162.17 49.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.53 2.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.63 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 62' ' ' VAL . 27.9 m-20 -83.53 -24.08 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -49.17 172.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 -156.15 26.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.8 tp -114.18 98.75 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 28.1 m-85 -79.07 142.09 36.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.64 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.76 126.69 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' ASN . 12.1 t -117.98 122.56 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.9 p -104.18 134.57 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.7 m -150.55 131.55 14.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.9 m -124.96 123.63 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -94.04 159.43 15.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 11.9 m-85 -151.37 109.13 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.7 t -82.48 108.29 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.6 t -106.14 149.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -148.27 105.04 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.914 HG22 ' CG2' ' A' ' 15' ' ' VAL . 39.9 t -99.67 119.62 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -163.87 143.85 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.71 107.47 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -77.59 144.65 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -137.55 171.92 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.4 tm? -160.0 128.51 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.97 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.5 m -149.92 -175.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.53 170.01 12.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.3 Cg_endo -69.74 95.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.2 -7.53 5.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.28 -175.25 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 57' ' ' GLU . 35.3 tp -109.45 109.15 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 tp -83.76 104.05 13.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -111.22 129.25 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.67 169.67 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -147.39 138.37 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.7 t -111.6 116.78 31.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 33' ' ' SER . 9.6 mt -144.09 142.49 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -127.23 111.52 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 67.4 m95 -87.96 134.9 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -135.26 160.57 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.785 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.2 ttp85 -150.88 115.29 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.07 25.17 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 47.75 5.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -166.35 147.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -55.38 125.86 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 51' ' ' ILE . 37.7 tp -75.14 150.08 38.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.98 152.78 48.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -100.25 157.04 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -154.34 -179.96 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -39.47 -35.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -98.22 -59.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.592 HG23 HG22 ' A' ' 58' ' ' VAL . 22.1 m -65.48 135.46 55.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.0 tpt180 -140.17 107.77 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.557 HG12 HG22 ' A' ' 56' ' ' VAL . 42.4 mt -96.47 102.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.4 p -85.08 15.48 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 107.79 -65.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -113.52 -3.6 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -132.2 130.41 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 51' ' ' ILE . 69.3 t -112.85 126.26 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 20' ' ' LEU . 43.3 tt0 -125.82 118.56 25.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.592 HG22 HG23 ' A' ' 49' ' ' THR . 10.5 t -118.15 114.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -79.84 141.4 36.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 t0 58.53 40.25 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -38.81 159.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.21 161.54 50.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.63 2.67 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.59 -24.57 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -83.13 -22.52 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.9 p -51.45 173.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.48 -145.09 13.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD11 ' HD2' ' A' ' 83' ' ' TYR . 2.5 tm? -125.03 100.83 6.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.2 m-85 -82.72 141.01 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.5 111.67 7.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.6 p -96.52 127.43 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 80' ' ' ASP . 17.4 t -118.48 119.2 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 p -102.52 130.21 49.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.847 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.7 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.466 HG23 HG22 ' A' ' 72' ' ' VAL . 14.7 m -156.03 134.2 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.2 m -127.76 122.93 34.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.769 ' HD2' HD11 ' A' ' 68' ' ' LEU . 93.9 m-85 -93.48 160.73 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.7 m-85 -154.06 106.0 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -78.63 106.85 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.7 t -102.63 141.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -143.27 105.47 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.97 HG22 ' CG2' ' A' ' 15' ' ' VAL . 40.0 t -100.76 118.94 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -162.51 139.02 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 83' ' ' TYR . 94.4 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.23 115.58 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -83.36 147.75 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -142.03 167.11 22.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.8 tm? -155.17 126.25 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.903 ' CG2' HG22 ' A' ' 88' ' ' VAL . 26.8 m -147.61 -174.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.27 170.19 11.97 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.6 Cg_endo -69.73 92.23 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.28 -9.57 3.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.97 -174.54 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 57' ' ' GLU . 35.9 tp -110.1 108.22 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.5 tp -81.03 101.98 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -109.22 134.22 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.74 172.19 11.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -150.12 140.35 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -113.35 121.11 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 20.8 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 mt -138.23 142.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.0 t-20 -128.76 102.85 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CD1' HG23 ' A' ' 51' ' ' ILE . 69.3 m95 -77.46 135.61 38.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mt -132.2 164.5 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.828 ' O ' HG12 ' A' ' 41' ' ' VAL . 16.7 ttp85 -153.14 114.12 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.35 25.6 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.13 45.58 5.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.1 p -164.08 150.45 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -55.93 128.64 36.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' HG ' HD11 ' A' ' 51' ' ' ILE . 24.2 tp -81.76 148.12 29.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.33 160.09 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -108.89 161.61 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 p -159.6 -177.51 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -40.52 -35.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -97.82 -59.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 HG22 ' A' ' 58' ' ' VAL . 25.3 m -67.32 142.93 56.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.6 tpt180 -147.51 118.8 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.563 HG23 ' CD1' ' A' ' 36' ' ' TRP . 42.9 mt -105.95 102.96 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.0 p -83.56 11.6 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.45 -61.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -114.98 -2.38 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -137.81 132.46 32.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.506 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 75.8 t -110.93 140.85 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 20' ' ' LEU . 32.7 tt0 -139.48 119.73 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.604 HG22 HG23 ' A' ' 49' ' ' THR . 8.6 t -121.66 112.21 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -75.85 143.72 41.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.3 t70 53.5 43.92 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.1 p -41.11 163.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.2 161.16 46.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.159 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.45 -25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 75.2 m-20 -83.76 -24.14 31.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.6 p -47.76 174.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.04 -155.64 26.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.0 tp -116.67 94.5 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 44.9 m-85 -76.35 137.86 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.74 116.78 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.6 p -97.31 125.03 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.1 t -114.85 119.15 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -105.85 135.03 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.431 ' OD2' ' NH2' ' A' ' 26' ' ' ARG . 2.1 t70 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -151.66 133.97 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.2 m -128.84 116.77 19.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 10' ' ' VAL . 82.8 m-85 -89.55 158.04 17.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.5 m-85 -149.84 106.13 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 t -79.7 104.56 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.23 145.52 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.72 105.03 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.903 HG22 ' CG2' ' A' ' 15' ' ' VAL . 25.1 t -99.62 117.59 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -159.93 141.6 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.6 117.47 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -85.22 146.71 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.35 156.79 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -147.05 128.21 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.811 ' N ' HD13 ' A' ' 14' ' ' LEU . 29.8 m -148.42 -175.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -130.59 169.58 13.25 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.69 91.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.51 -12.59 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.64 -176.16 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 57' ' ' GLU . 43.6 tp -108.74 109.32 20.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.46 107.28 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -113.72 136.12 53.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -131.27 170.54 14.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -148.59 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -116.03 131.63 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 8.0 mtm105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.352 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -139.4 142.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -125.49 106.03 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CD1' HG23 ' A' ' 51' ' ' ILE . 62.9 m95 -81.18 131.77 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 41' ' ' VAL . 9.3 mt -129.51 164.26 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.794 ' O ' HG12 ' A' ' 41' ' ' VAL . 40.7 ttp180 -152.73 116.22 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.58 25.76 15.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.37 48.89 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -168.13 153.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -58.8 128.73 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.561 ' HG ' HD11 ' A' ' 51' ' ' ILE . 29.8 tp -79.75 153.93 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.68 151.0 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.85 159.46 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -157.63 178.94 9.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -37.76 -35.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -96.78 -59.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.613 HG23 HG22 ' A' ' 58' ' ' VAL . 11.7 m -63.58 140.68 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.197 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.6 tpt180 -144.16 110.47 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.599 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.5 mt -101.8 103.42 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -87.43 14.26 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.86 -61.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -120.33 -4.35 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -131.56 118.34 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 89.0 t -99.7 144.4 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ARG . 53.9 tt0 -142.66 117.37 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.613 HG22 HG23 ' A' ' 49' ' ' THR . 5.7 t -119.53 110.07 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -75.72 139.81 42.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.1 t70 58.17 43.73 20.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.3 p -40.27 162.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.55 160.9 46.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.53 -18.33 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.07 -14.98 32.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 m -52.04 173.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.52 -167.65 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.7 tp -107.74 98.08 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.5 m-85 -78.69 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.91 120.14 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p -100.19 125.2 46.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.2 t -115.23 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -102.64 130.35 49.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -150.95 122.26 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.473 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -116.48 120.02 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -92.05 159.43 15.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 82' ' ' THR . 15.1 m-85 -152.56 107.38 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -82.28 104.3 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.3 t -99.87 149.42 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.553 ' HB3' HD22 ' A' ' 14' ' ' LEU . 12.6 t30 -149.17 105.14 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 15' ' ' VAL . 22.0 t -99.49 120.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -161.76 141.3 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.748 0.309 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.03 116.48 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -85.56 145.21 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -139.56 164.51 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -153.18 125.56 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.935 ' CG2' HG22 ' A' ' 88' ' ' VAL . 34.5 m -147.76 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.8 170.23 11.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.848 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.78 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -12.37 3.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.4 -174.41 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.8 tp -110.87 106.38 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 tp -78.95 103.61 9.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -111.17 131.57 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -126.46 167.67 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 14.0 ttp-105 -148.11 139.91 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.3 t -109.07 129.27 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 mt -140.52 143.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' VAL . 24.7 t30 -129.73 104.64 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.469 ' CE2' HG23 ' A' ' 56' ' ' VAL . 73.7 m95 -80.1 140.97 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.0 mt -140.4 166.03 25.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.863 ' O ' HG12 ' A' ' 41' ' ' VAL . 8.1 ttp-105 -154.15 118.13 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 59.11 25.4 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.71 43.62 6.76 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.2 p -159.68 150.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.486 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -57.1 126.62 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' A' ' 51' ' ' ILE . 57.7 tp -76.28 148.81 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.38 156.41 44.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CG ' HD12 ' A' ' 51' ' ' ILE . 1.9 mt-10 -103.98 164.57 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -160.32 -176.61 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.76 -31.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -102.04 -56.95 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 HG22 ' A' ' 58' ' ' VAL . 28.6 m -67.47 140.08 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -145.4 114.88 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 56' ' ' VAL . 40.0 mt -102.74 109.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -91.07 15.49 11.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.521 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 104.98 -62.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -117.57 3.05 12.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -141.22 125.75 17.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 51' ' ' ILE . 76.4 t -109.76 134.5 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' CG ' HD11 ' A' ' 20' ' ' LEU . 28.2 tt0 -133.37 118.7 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.603 HG22 HG23 ' A' ' 49' ' ' THR . 7.7 t -118.76 114.02 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.19 147.3 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.0 t70 48.09 46.65 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 57.9 p -42.4 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -145.68 161.29 41.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 111.137 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.55 2.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 -25.76 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 66.2 m-20 -83.3 -23.01 32.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.1 p -50.89 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.27 -156.09 25.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.95 93.21 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -74.08 147.48 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.69 117.2 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.1 p -100.11 126.0 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' ASN . 4.8 t -116.68 120.36 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -104.99 136.29 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.823 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -145.47 136.55 24.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -128.46 117.62 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -90.06 158.61 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.0 m-85 -150.7 107.74 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.94 98.87 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -95.62 146.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -145.97 104.98 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.935 HG22 ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -99.86 117.49 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -160.35 142.07 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 83' ' ' TYR . 53.0 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.776 0.322 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.71 115.49 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -84.84 149.51 25.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.9 m-85 -141.89 168.48 19.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.9 tm? -155.73 128.02 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.987 ' CG2' HG22 ' A' ' 88' ' ' VAL . 28.4 m -150.48 -175.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.495 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.9 170.17 11.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.76 98.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.95 -9.73 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.41 -174.02 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.9 tp -110.0 110.27 21.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.09 108.75 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.419 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 10.0 mt-30 -114.21 131.62 56.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -125.0 164.23 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.483 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.2 ttp85 -142.12 137.78 31.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.1 t -113.43 121.13 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 14.8 ptt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.906 0.384 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.89 139.4 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -124.92 108.76 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.481 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 67.7 m95 -83.42 139.15 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.1 mt -137.43 164.91 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.775 ' O ' HG12 ' A' ' 41' ' ' VAL . 39.7 ttp180 -152.92 116.31 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 60.38 26.12 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.09 43.62 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.775 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.9 p -160.4 146.45 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.511 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -54.72 128.96 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HG ' HD11 ' A' ' 51' ' ' ILE . 25.3 tp -80.65 148.19 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.17 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.598 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -95.11 156.72 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -152.07 177.06 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.8 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -101.34 -57.37 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.513 HG23 HG22 ' A' ' 58' ' ' VAL . 45.6 m -67.57 141.19 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.8 tpt180 -143.74 114.35 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.598 HD12 ' CG ' ' A' ' 45' ' ' GLU . 48.9 mt -100.61 106.68 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.6 p -90.52 14.94 11.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 110.43 -69.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.46 1.12 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -133.94 127.3 32.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 77.0 t -109.03 130.2 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ARG . 41.1 tt0 -127.99 120.45 27.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.513 HG22 HG23 ' A' ' 49' ' ' THR . 6.9 t -121.1 115.22 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -77.49 147.11 36.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 50.0 44.32 25.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.1 p -40.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.35 161.52 41.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.675 0.75 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.53 4.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.397 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.0 -16.46 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.85 -25.23 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -47.52 175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.26 -149.91 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.8 100.03 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -82.0 137.96 35.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.45 117.92 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 p -98.94 126.63 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -115.58 116.41 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 p -103.0 129.7 49.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.82 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -151.89 130.78 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -126.36 115.95 20.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.559 ' HB2' HG22 ' A' ' 10' ' ' VAL . 87.9 m-85 -88.36 157.79 18.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -149.57 108.78 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.4 t -82.05 110.45 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.81 148.67 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -146.93 105.36 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.987 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.8 t -101.38 115.41 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -158.97 140.86 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.565 HG22 ' HB2' ' A' ' 83' ' ' TYR . 85.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.754 0.312 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -63.19 117.71 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -84.59 147.45 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' SER . 36.3 m-85 -143.07 160.31 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -151.85 123.25 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.964 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.7 m -142.69 -174.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.94 169.54 13.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.71 . . . . 0.0 110.811 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.84 98.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.617 2.211 . . . . 0.0 112.345 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.85 -7.35 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.74 -174.4 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 57' ' ' GLU . 44.9 tp -109.79 109.33 19.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.9 105.31 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.53 135.44 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -128.08 172.61 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 38.6 ttp180 -151.45 139.5 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -111.33 145.62 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.8 139.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -122.94 105.76 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.512 ' CD1' HG23 ' A' ' 51' ' ' ILE . 65.3 m95 -81.9 135.88 35.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.6 mt -136.29 159.68 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.771 ' O ' HG12 ' A' ' 41' ' ' VAL . 29.9 ttp85 -150.12 115.72 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 26.0 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.49 47.62 5.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 38' ' ' ARG . 7.6 p -166.99 150.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.7 tp60 -56.13 131.4 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 51' ' ' ILE . 38.2 tp -81.05 147.01 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.7 145.28 50.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.604 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.7 mt-10 -96.94 154.93 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASN . 83.0 p -151.03 -177.81 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.3 m-20 -37.66 -40.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.2 mtt-85 -94.55 -61.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.6 HG23 HG22 ' A' ' 58' ' ' VAL . 22.6 m -58.44 137.73 57.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -143.66 113.02 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.604 HD12 ' CG ' ' A' ' 45' ' ' GLU . 49.0 mt -102.47 100.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.2 p -82.7 14.14 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 103.85 -61.7 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -115.46 -3.05 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -137.09 122.27 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 51' ' ' ILE . 75.2 t -104.3 140.2 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.658 ' CG ' HD11 ' A' ' 20' ' ' LEU . 30.5 tt0 -138.1 119.55 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.6 HG22 HG23 ' A' ' 49' ' ' THR . 6.9 t -120.86 111.36 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.9 mt-30 -75.21 150.01 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.1 t70 49.61 41.72 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 54.3 p -40.63 162.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.0 161.44 45.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.739 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 3.23 2.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.2 -26.76 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.13 -19.25 40.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 p -51.66 177.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.55 -152.67 23.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.9 tp -119.44 100.34 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.3 m-85 -80.83 137.17 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.72 120.22 19.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -102.33 125.12 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.442 HG22 HG23 ' A' ' 81' ' ' THR . 6.6 t -117.11 117.72 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -97.81 146.19 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.442 HG23 HG22 ' A' ' 72' ' ' VAL . 8.6 m -146.78 133.15 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -125.72 121.43 33.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.565 ' HB2' HG22 ' A' ' 10' ' ' VAL . 91.7 m-85 -92.88 154.66 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 19.5 m-85 -148.04 106.83 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -77.99 111.31 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.0 t -109.53 139.78 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -142.35 106.44 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.964 HG22 ' CG2' ' A' ' 15' ' ' VAL . 40.1 t -100.16 118.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -163.73 136.67 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.319 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.99 113.79 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 150.41 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' SER . 39.0 m-85 -143.97 166.64 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -155.67 124.46 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.887 ' CG2' HG22 ' A' ' 88' ' ' VAL . 26.8 m -145.55 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.491 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.09 169.88 12.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.1 Cg_endo -69.79 94.86 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.37 -12.47 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.34 -175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 tp -109.82 109.79 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.8 tp -82.52 104.87 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.88 128.03 56.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -124.08 167.05 14.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 23.7 ttt180 -146.08 143.35 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.3 129.25 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' CG2' ' SG ' ' A' ' 71' ' ' CYS . 9.6 mt -141.58 141.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -127.07 102.11 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.461 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 64.3 m95 -77.62 138.7 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 42' ' ' GLN . 14.5 mt -135.22 159.19 42.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.529 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 22.9 ttp85 -150.36 116.12 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 62.94 24.99 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 47.71 5.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.17 146.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.545 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.6 tp-100 -54.61 128.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.1 tp -78.71 158.64 28.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.28 150.32 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.0 mt-10 -98.55 154.61 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ASN . 1.6 m -156.6 177.36 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' SER . 8.8 t-20 -35.58 -35.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.2 mtm-85 -97.27 -61.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.674 HG23 HG22 ' A' ' 58' ' ' VAL . 6.4 m -64.8 138.09 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLU . 15.1 tpt85 -141.68 110.1 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 56' ' ' VAL . 36.8 mt -102.32 102.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -86.58 17.56 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 108.3 -66.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -116.85 4.88 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -138.58 123.91 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 51' ' ' ILE . 79.8 t -106.67 135.54 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' ARG . 29.1 tt0 -134.31 118.14 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG22 HG23 ' A' ' 49' ' ' THR . 11.5 t -118.8 112.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -77.5 140.51 39.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.2 t70 59.6 41.12 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 58.2 p -39.21 160.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 161.54 46.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.49 -26.41 12.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -83.31 -24.47 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.6 p -49.95 168.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.59 -158.86 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.37 94.82 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 38.0 m-85 -76.0 136.39 39.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.24 117.77 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -99.7 130.32 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -118.21 116.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -100.59 131.58 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.1 m -144.9 128.77 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.1 m -121.67 120.44 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.03 160.96 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.1 m-85 -153.76 106.46 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.1 t -79.33 105.76 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.6 t -103.05 151.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.47 ' HB3' HD22 ' A' ' 14' ' ' LEU . 1.9 t30 -151.15 105.85 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.887 HG22 ' CG2' ' A' ' 15' ' ' VAL . 27.6 t -99.94 119.92 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -164.0 139.04 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -64.15 161.53 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -55.58 155.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.54 165.8 11.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -124.76 11.25 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 p -108.97 101.7 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.84 -44.93 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.84 169.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.8 113.67 27.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -104.8 92.19 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -61.23 115.97 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -84.37 150.52 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -143.93 161.51 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -149.93 126.32 10.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.937 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.0 m -147.89 -174.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.821 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.98 170.19 11.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.93 -6.65 4.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -89.51 -173.83 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.2 tp -110.75 107.78 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.7 tp -80.17 102.02 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -109.49 133.88 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.6 mt -128.62 163.46 25.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 12.7 ttm105 -139.56 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 t -112.82 124.47 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.9 mtp-105 -68.74 112.19 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 34' ' ' ILE . 21.1 mt -102.54 171.64 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -124.99 -176.03 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -84.2 -12.33 55.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.2 m-20 -102.34 -30.87 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 t -35.05 144.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -121.78 -35.13 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.28 179.62 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.673 HD11 HD11 ' A' ' 27' ' ' LEU . 16.2 mt -143.94 142.13 24.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -125.0 112.3 16.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.536 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.2 m95 -87.12 131.56 34.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.2 mt -131.17 165.1 24.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.826 ' O ' HG12 ' A' ' 41' ' ' VAL . 28.3 ttp85 -153.59 115.34 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.05 25.2 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.42 43.13 6.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -159.86 148.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.325 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.05 126.76 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -79.19 151.74 31.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.01 157.94 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.544 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -102.75 161.86 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 t -159.9 -179.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -40.39 -35.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -98.72 -55.23 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG22 ' A' ' 58' ' ' VAL . 14.1 m -67.84 141.11 56.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.9 tpt180 -145.41 113.88 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.544 HD12 ' CG ' ' A' ' 45' ' ' GLU . 51.2 mt -101.68 103.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.4 p -88.51 20.3 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.457 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 102.46 -67.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.34 1.99 13.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -137.4 123.38 20.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 57.0 t -104.08 150.6 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.653 ' CG ' HD11 ' A' ' 20' ' ' LEU . 34.7 tt0 -147.98 120.06 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 49' ' ' THR . 8.7 t -122.23 105.39 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.45 143.82 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.0 t70 55.0 42.2 31.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 59.3 p -41.07 163.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.26 45.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.42 2.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.1 -17.07 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -91.58 -19.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.2 166.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.63 -159.14 28.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 tp -114.9 98.33 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 42.8 m-85 -78.86 142.2 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.72 117.09 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.6 p -99.98 125.63 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.71 119.24 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.463 HG21 ' CD2' ' A' ' 27' ' ' LEU . 17.8 p -99.43 128.46 45.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -88.0 117.83 27.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.5 p -127.75 153.99 77.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.675 0.75 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.82 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -120.61 -5.53 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.58 -144.72 11.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -159.76 112.86 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.23 167.54 14.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -148.27 137.14 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.4 m -130.06 119.75 23.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.17 156.29 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -148.24 108.64 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -83.82 102.33 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 87' ' ' ASN . 38.1 t -98.12 153.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 105.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.937 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.9 t -99.79 119.35 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -162.39 143.57 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -13.44 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.07 108.45 8.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.821 HD11 ' HB3' ' A' ' 16' ' ' HIS . 7.9 mt -139.46 151.99 68.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.84 24.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.254 . . . . 0.0 112.344 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -108.84 124.52 50.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.48 79.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -21.19 34.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.4 p -103.33 120.09 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -169.98 148.23 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -121.98 91.63 3.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -76.53 -58.21 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.49 44.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -162.93 120.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -117.86 117.79 30.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.82 132.24 2.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.74 164.84 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -98.79 122.5 42.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 83' ' ' TYR . 40.0 t -112.8 91.33 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' SER . 9.2 tt0 -59.85 121.27 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.34 152.75 22.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.0 m-85 -147.66 156.26 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.0 tm? -144.94 127.99 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.996 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.8 m -148.19 -175.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -133.2 170.26 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.75 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.0 -12.22 4.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.68 -173.58 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD11 ' CG ' ' A' ' 57' ' ' GLU . 47.1 tp -112.03 109.69 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 tp -82.8 104.9 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -111.02 131.02 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.88 168.88 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -147.67 144.17 28.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.34 115.85 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -59.66 111.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 HD11 ' A' ' 34' ' ' ILE . 30.2 mt -99.42 175.79 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -131.75 176.39 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.04 -11.37 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' VAL . 25.0 m-20 -103.32 -31.16 10.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 t -33.71 141.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -118.79 -34.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -148.69 177.98 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.662 HD11 HD11 ' A' ' 27' ' ' LEU . 18.4 mt -140.82 141.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -124.18 106.94 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 62.7 m95 -83.1 135.38 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 42' ' ' GLN . 11.6 mt -136.07 161.05 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.674 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.8 ttp180 -149.22 113.37 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.3 25.59 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.38 41.92 7.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 38' ' ' ARG . 1.7 p -159.6 143.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -51.07 128.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.55 ' HG ' HD11 ' A' ' 51' ' ' ILE . 19.8 tp -79.55 147.47 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.34 154.32 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.5 mt-10 -100.91 155.27 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -151.03 -179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 47' ' ' ASN . 12.0 p-10 -42.66 -34.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -98.32 -55.51 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 HG22 ' A' ' 58' ' ' VAL . 28.0 m -65.83 139.07 58.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.4 tpt180 -143.9 108.76 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.55 HD11 ' HG ' ' A' ' 43' ' ' LEU . 48.3 mt -97.95 105.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -91.39 26.61 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 98.8 -68.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.3 pt-20 -118.71 8.59 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.35 117.4 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 51' ' ' ILE . 69.9 t -103.12 140.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.678 ' CG ' HD11 ' A' ' 20' ' ' LEU . 50.1 tt0 -138.71 118.02 12.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 HG23 ' A' ' 49' ' ' THR . 8.3 t -118.15 108.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -74.11 143.25 45.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.7 t70 54.65 42.59 31.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 51.4 p -41.05 163.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.36 45.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.26 2.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.55 -19.14 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -88.14 -24.34 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -44.82 170.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 -163.66 28.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.9 tp -110.32 97.61 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 13.6 m-85 -77.56 138.45 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.92 117.16 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -101.05 125.14 47.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 80' ' ' ASP . 10.5 t -115.24 116.23 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.426 HG21 ' CD2' ' A' ' 27' ' ' LEU . 25.7 p -99.18 128.11 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m -88.17 114.55 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -130.81 152.85 81.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -0.12 6.42 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.9 p -112.46 -11.68 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.31 128.33 2.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -72.28 123.29 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.417 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.2 t70 -94.27 -178.23 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.415 HG23 HG22 ' A' ' 72' ' ' VAL . 6.2 m -155.56 133.81 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.499 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -127.54 119.19 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.662 ' HB2' HG22 ' A' ' 10' ' ' VAL . 71.1 m-85 -91.92 155.52 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.2 m-85 -147.66 106.11 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' PHE . 41.0 t -80.34 105.86 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.2 t -103.14 152.72 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.01 106.34 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.996 HG22 ' CG2' ' A' ' 15' ' ' VAL . 55.3 t -100.78 119.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -162.34 144.0 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -62.73 -14.07 40.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.05 121.02 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.711 HD23 HD11 ' A' ' 14' ' ' LEU . 4.5 mt -138.06 151.54 70.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.69 3.3 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -59.64 178.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.98 83.15 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 177.58 5.42 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.6 m -120.87 -68.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 t -37.9 -51.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -75.9 149.37 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -137.19 133.75 35.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 84.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -91.21 134.92 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -136.38 146.92 47.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.11 53.82 1.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -138.47 169.82 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.126 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' H ' HG12 ' A' ' 8' ' ' VAL . 8.3 pt-20 -88.81 117.08 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.91 92.59 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 15.0 tt0 -59.39 113.35 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -83.97 146.25 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 11' ' ' GLU . 45.2 m-85 -140.67 167.26 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD11 HD23 ' A' ' 92' ' ' LEU . 2.8 tm? -156.22 128.07 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.951 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.9 m -149.23 -174.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.639 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.1 169.85 12.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.77 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.07 -11.41 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.76 -174.19 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.0 tp -111.27 107.72 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -80.6 107.62 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -113.42 131.52 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -125.72 169.27 12.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -147.07 142.5 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.28 115.34 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -57.19 110.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.612 HD22 HG11 ' A' ' 31' ' ' VAL . 41.4 mt -98.75 175.08 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -131.98 -177.36 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -83.55 -10.75 58.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 31' ' ' VAL . 37.4 m-20 -104.85 -29.6 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 27' ' ' LEU . 4.2 t -33.31 139.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -119.27 -29.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.3 t -153.9 178.87 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 33' ' ' SER . 9.4 mt -143.44 140.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -124.16 106.75 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 69.0 m95 -81.15 134.73 35.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 42' ' ' GLN . 10.1 mt -133.32 162.22 32.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.574 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 31.3 ttp180 -152.02 114.02 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 63.22 25.9 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.21 43.54 7.01 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -160.43 148.9 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.5 tp60 -58.47 125.94 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.42 153.54 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.69 159.17 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 3.5 mt-10 -103.33 162.17 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 t -160.02 -176.42 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -44.96 -37.49 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -96.02 -52.81 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 HG22 ' A' ' 58' ' ' VAL . 12.9 m -68.52 139.76 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.7 tpp180 -144.32 113.6 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 56' ' ' VAL . 57.3 mt -105.44 110.08 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -91.17 7.37 41.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.2 -57.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -122.3 -3.06 8.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -134.55 122.7 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 79.8 t -102.81 147.13 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.5 tt0 -144.43 118.55 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.552 HG22 HG23 ' A' ' 49' ' ' THR . 13.9 t -120.09 108.43 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -72.51 142.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.2 t70 53.42 44.79 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 38.4 p -41.97 165.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.26 161.13 43.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.723 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.88 -17.53 14.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -90.02 -22.2 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.77 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.86 -152.48 24.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.19 96.77 5.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.6 m-85 -77.57 141.6 39.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.52 115.15 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.8 p -96.64 127.48 42.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.42 117.4 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -98.56 140.6 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -102.39 108.97 20.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.7 p -126.9 152.51 75.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.721 0.772 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.65 4.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -115.04 -10.64 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.13 129.08 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 p -77.76 121.47 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -92.72 178.97 5.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 m -151.83 133.06 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.6 m -126.75 119.29 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -91.43 157.73 16.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -149.41 108.98 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.68 106.33 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.4 t -102.11 151.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -151.19 105.07 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.951 HG22 ' CG2' ' A' ' 15' ' ' VAL . 54.7 t -100.02 119.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -161.88 143.7 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -9.93 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.42 113.39 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.771 HD23 HD11 ' A' ' 14' ' ' LEU . 9.8 mt -136.73 143.74 44.05 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 106.74 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t -91.74 146.95 23.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.92 -96.28 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -3.85 12.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.343 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.6 t -146.68 153.83 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -55.91 124.59 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -84.1 91.4 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -42.88 133.05 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 134.53 5.2 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 m -99.1 103.51 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -85.24 -49.68 7.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.81 87.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.91 165.9 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.09 113.0 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.71 91.93 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.74 108.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -80.05 149.43 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.4 m-85 -141.09 171.97 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.5 tm? -158.43 125.32 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.981 ' CG2' HG22 ' A' ' 88' ' ' VAL . 33.3 m -147.76 -175.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.33 169.85 12.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.71 93.36 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.97 -8.86 3.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -86.66 -174.43 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.558 HD11 ' CG ' ' A' ' 57' ' ' GLU . 41.8 tp -110.05 107.55 17.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -79.58 101.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -109.06 132.75 53.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -125.69 174.65 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -151.69 140.88 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.2 t -114.63 115.19 26.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -62.6 108.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 34' ' ' ILE . 20.5 mt -98.27 -177.18 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -136.27 -177.48 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -82.83 -10.37 58.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m-20 -103.24 -32.79 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.9 t -32.17 142.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -116.75 -35.97 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -150.14 178.58 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.739 HD11 HD11 ' A' ' 27' ' ' LEU . 13.0 mt -139.96 140.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -125.54 105.01 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.499 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 70.2 m95 -78.98 137.37 37.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' GLN . 11.9 mt -135.21 162.08 33.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.817 ' O ' HG12 ' A' ' 41' ' ' VAL . 21.4 ttp85 -151.4 113.61 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.61 25.76 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.74 43.32 6.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.7 p -160.74 147.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -55.87 128.4 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 51' ' ' ILE . 37.3 tp -79.96 146.3 32.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.17 152.83 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -97.74 157.8 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -153.67 178.98 9.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -38.93 -35.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -100.31 -54.09 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 58' ' ' VAL . 7.1 m -65.74 138.61 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLU . 11.6 tpt180 -143.38 114.38 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 43' ' ' LEU . 49.5 mt -105.42 102.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.9 p -83.59 13.1 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 106.88 -61.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.19 -2.45 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -135.94 126.57 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 74.7 t -105.09 145.42 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.558 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.5 tt0 -144.09 118.97 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 49' ' ' THR . 9.9 t -121.34 111.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -74.74 144.19 43.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.9 t70 52.74 44.11 30.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.3 p -41.44 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -144.46 160.81 46.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.135 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.37 2.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.68 -18.48 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 67.0 m-20 -89.35 -20.22 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -50.61 176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.41 -156.41 26.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 83' ' ' TYR . 49.7 tp -117.58 95.35 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 51.2 m-85 -76.42 138.65 40.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.64 117.44 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.3 p -98.66 126.15 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -114.18 117.45 55.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.556 HG21 ' CD2' ' A' ' 27' ' ' LEU . 31.7 p -104.39 129.54 52.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.1 m -89.92 122.0 32.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -136.62 152.82 75.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.84 7.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -113.8 -6.56 13.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.29 128.4 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -70.02 130.72 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.814 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.32 174.14 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -151.29 135.39 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.3 m -130.29 117.99 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' HB3' HD11 ' A' ' 68' ' ' LEU . 75.4 m-85 -89.62 159.18 17.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 82' ' ' THR . 16.7 m-85 -150.79 106.85 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.7 t -80.4 107.48 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.33 150.28 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -150.24 105.39 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.981 HG22 ' CG2' ' A' ' 15' ' ' VAL . 46.9 t -100.87 117.29 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -161.23 138.17 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.78 -17.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.23 110.91 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 14' ' ' LEU . 3.8 mt -133.59 142.38 43.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.23 4.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -85.06 94.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -45.66 -93.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 147.85 64.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -101.77 141.75 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -127.4 128.04 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -90.81 144.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -161.28 134.04 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.48 -84.92 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -90.26 84.28 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 p -82.05 -49.98 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.89 60.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -140.58 174.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.099 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.552 ' H ' HG12 ' A' ' 8' ' ' VAL . 6.8 pt-20 -97.19 97.29 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.7 t -91.13 92.27 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.83 111.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -80.32 149.41 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' SER . 30.1 m-85 -144.93 161.58 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.775 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.3 tm? -151.92 128.48 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.967 ' CG2' HG22 ' A' ' 88' ' ' VAL . 27.7 m -148.91 -174.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -130.76 170.34 11.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.78 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.33 -8.08 4.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.87 -174.51 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.4 tp -110.56 107.12 16.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -80.73 105.33 11.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -112.58 137.0 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.67 173.47 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -149.38 145.81 27.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.7 t -118.06 124.82 49.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -69.26 111.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 34' ' ' ILE . 31.9 mt -98.07 171.21 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -124.9 -178.78 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -1.31 57.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -117.31 -24.68 7.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG11 HD22 ' A' ' 27' ' ' LEU . 4.2 t -38.63 140.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -110.78 -37.58 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -151.16 177.17 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.587 HD11 HD11 ' A' ' 27' ' ' LEU . 10.4 mt -136.53 140.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -122.96 104.64 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.583 ' CD1' HG23 ' A' ' 51' ' ' ILE . 70.5 m95 -78.87 134.63 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 42' ' ' GLN . 12.6 mt -132.41 162.78 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG12 ' A' ' 41' ' ' VAL . 27.1 ttp85 -152.25 115.2 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.9 26.29 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.58 43.76 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 38' ' ' ARG . 1.4 p -162.69 144.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.537 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.6 tp-100 -50.6 129.75 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' A' ' 51' ' ' ILE . 50.3 tp -79.38 152.89 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.61 154.88 47.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.8 158.62 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.5 p -154.37 -179.73 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -43.72 -32.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.3 mtt-85 -100.4 -54.4 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.537 HG23 HG22 ' A' ' 58' ' ' VAL . 31.6 m -64.86 143.1 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -146.37 110.53 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 36' ' ' TRP . 51.0 mt -100.77 102.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.5 p -84.92 15.03 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 102.1 -59.03 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' OE1' HD12 ' A' ' 27' ' ' LEU . 3.6 pt-20 -119.23 2.13 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.02 125.39 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG23 ' CE2' ' A' ' 36' ' ' TRP . 76.5 t -107.21 136.03 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' CG ' HD11 ' A' ' 20' ' ' LEU . 29.3 tt0 -137.58 116.4 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 HG23 ' A' ' 49' ' ' THR . 11.4 t -118.58 117.72 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.5 mt-30 -79.12 153.51 30.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 46.0 41.54 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 75.2 p -38.51 158.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.3 161.84 48.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 1.52 4.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.388 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.18 -21.75 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.71 -21.87 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -52.11 173.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.67 -152.76 24.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.434 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.82 98.53 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.9 m-85 -78.75 147.51 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.68 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.7 p -94.93 126.28 40.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -114.49 117.24 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 p -100.18 131.72 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.6 t -94.57 120.71 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -130.35 153.09 81.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.655 0.74 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.347 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 m -121.71 -2.93 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.13 -151.45 23.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -155.09 122.9 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.38 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.21 165.59 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -147.79 127.71 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.8 m -120.85 118.66 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -91.0 159.52 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 82' ' ' THR . 10.0 m-85 -151.22 106.51 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.3 t -80.14 103.44 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.86 146.58 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -146.96 106.61 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.967 HG22 ' CG2' ' A' ' 15' ' ' VAL . 35.3 t -101.12 119.4 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -163.29 138.03 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.41 -26.82 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.627 ' C ' HD12 ' A' ' 92' ' ' LEU . . . -83.23 123.18 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 91' ' ' ALA . 5.2 mp -126.42 150.79 71.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.623 0.725 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 95' ' ' GLY . 53.9 Cg_endo -69.76 -7.6 21.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -60.7 81.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . 91.81 -177.49 40.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 157.03 61.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -55.04 99.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.7 t -103.77 -45.8 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -128.07 158.86 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -59.27 176.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 -46.73 0.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -104.47 152.56 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -124.69 173.29 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.7 67.86 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 9' ' ' GLU . 1.5 t -152.19 170.45 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.14 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.531 ' H ' HG12 ' A' ' 8' ' ' VAL . 11.0 pt-20 -105.43 118.13 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.1 t -120.16 94.5 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -60.65 119.28 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -88.13 148.76 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 41.3 m-85 -141.89 169.15 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.5 tm? -157.88 129.92 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.987 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.6 m -151.27 -175.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.79 170.16 12.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.7 96.0 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.48 -10.26 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -84.2 -173.78 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD11 ' CG ' ' A' ' 57' ' ' GLU . 50.8 tp -111.7 106.2 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.97 108.5 12.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -115.01 126.39 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.34 160.69 26.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 13.5 ttp85 -136.79 135.63 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.1 t -97.28 145.71 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -83.25 114.38 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 31' ' ' VAL . 94.2 mt -109.35 170.34 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -135.38 -175.26 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -82.7 -8.6 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 31' ' ' VAL . 19.7 m-20 -107.33 -29.33 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 HD22 ' A' ' 27' ' ' LEU . 3.3 t -33.41 142.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -120.2 -33.54 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -150.31 179.44 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.519 ' CD1' HD21 ' A' ' 27' ' ' LEU . 16.2 mt -141.79 143.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.0 t30 -131.4 103.28 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 77.5 m95 -75.95 141.75 42.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.4 mt -142.13 159.77 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.818 ' O ' HG12 ' A' ' 41' ' ' VAL . 45.2 ttp180 -148.15 117.77 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.05 25.02 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 48.19 5.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.818 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.6 p -166.22 148.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.52 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.7 tp-100 -55.74 128.33 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HG ' HD11 ' A' ' 51' ' ' ILE . 32.3 tp -77.54 148.9 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.37 148.31 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -98.73 159.96 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ARG . 88.7 p -159.96 174.86 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' SER . 15.2 m-20 -35.37 -34.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 83.5 mtm-85 -96.36 -61.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 58' ' ' VAL . 21.8 m -64.03 141.29 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.4 tpt180 -144.3 108.21 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.519 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 49.1 mt -99.75 103.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -87.94 21.38 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 101.39 -67.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' CB ' HD11 ' A' ' 27' ' ' LEU . 2.0 pt-20 -115.18 11.13 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -146.49 129.3 16.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 90.7 t -111.67 139.9 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.563 ' CG ' HD11 ' A' ' 20' ' ' LEU . 55.8 tt0 -139.14 117.46 11.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.563 HG22 HG23 ' A' ' 49' ' ' THR . 6.0 t -118.85 110.52 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' HD13 ' A' ' 20' ' ' LEU . 69.1 mt-30 -75.92 140.69 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.4 t70 58.28 43.53 20.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.4 p -41.23 163.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.54 161.01 45.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 3.58 2.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.29 -26.88 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.94 -28.41 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -46.64 172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.77 -149.57 21.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.5 97.37 5.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.4 145.42 35.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.19 115.94 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.7 p -98.0 126.66 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ASN . 5.2 t -114.24 117.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.697 HG21 HD23 ' A' ' 27' ' ' LEU . 35.1 p -102.87 130.9 50.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m -85.97 115.13 23.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -130.4 152.62 80.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.85 4.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -114.46 -10.58 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.28 126.51 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 116.32 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.0 t70 -83.52 -176.61 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -160.46 129.17 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -123.69 116.02 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -88.28 158.66 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' A' ' 82' ' ' THR . 27.5 m-85 -151.15 106.44 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' PHE . 6.6 t -78.64 109.57 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.43 151.58 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.64 105.12 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.987 HG22 ' CG2' ' A' ' 15' ' ' VAL . 51.2 t -100.52 117.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.4 t -159.78 143.4 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -17.13 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.23 109.32 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 16' ' ' HIS . 55.9 mt -137.46 152.21 72.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.63 14.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -83.98 39.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -169.06 75.36 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.3 p -147.33 171.46 15.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 m -100.58 -49.14 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -62.07 112.35 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 56.13 38.61 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.01 -142.64 33.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 61.48 40.93 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.4 m -97.46 60.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.66 -166.64 42.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -136.17 175.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.577 ' H ' HG12 ' A' ' 8' ' ' VAL . 6.7 pt-20 -86.72 118.3 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.2 91.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.21 114.36 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -81.78 150.11 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 47.4 m-85 -142.95 169.56 17.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD11 HD23 ' A' ' 92' ' ' LEU . 3.4 tm? -158.26 132.98 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.962 ' CG2' HG22 ' A' ' 88' ' ' VAL . 30.6 m -155.93 -174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.694 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.13 170.18 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.2 Cg_endo -69.71 96.78 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.68 -15.53 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.35 -174.54 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.936 HD11 ' CG ' ' A' ' 57' ' ' GLU . 59.3 tp -110.39 114.68 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -85.47 105.47 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -109.18 138.9 44.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -135.05 162.54 32.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.6 ttm180 -138.57 140.42 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -112.84 125.5 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -68.84 112.5 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.931 HD22 HG11 ' A' ' 31' ' ' VAL . 76.8 mt -99.3 168.57 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' H ' ' CG2' ' A' ' 31' ' ' VAL . 17.0 mtp180 -119.81 -174.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -13.74 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 13.0 m-20 -106.41 -24.6 12.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.931 HG11 HD22 ' A' ' 27' ' ' LEU . 3.7 t -36.13 138.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -114.09 -40.36 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 p -144.4 176.9 9.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.665 ' CD1' HD21 ' A' ' 27' ' ' LEU . 27.7 mt -138.25 142.97 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -124.38 108.61 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.6 m95 -82.74 130.37 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.3 mt -128.54 166.64 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.714 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.1 ttp85 -155.34 115.3 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 63.35 25.34 14.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.92 43.45 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.7 p -161.59 152.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.447 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.4 tp-100 -57.23 133.32 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 38' ' ' ARG . 31.3 tp -88.24 147.61 24.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.08 153.77 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.589 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -97.76 165.5 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' ARG . 1.2 t -161.28 174.54 13.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.3 m120 -36.11 -31.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' SER . 82.4 mtm180 -100.86 -59.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG22 ' A' ' 58' ' ' VAL . 17.8 m -62.79 136.81 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -139.14 109.32 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.4 mt -100.31 102.69 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -86.4 12.84 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 109.5 -63.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.489 ' OE1' HD12 ' A' ' 27' ' ' LEU . 4.0 pt-20 -119.69 4.05 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -139.25 118.88 13.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 74.9 t -98.4 148.53 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.936 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.6 tt0 -148.17 109.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 49' ' ' THR . 15.9 t -112.96 110.63 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -74.94 145.34 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.8 t70 54.37 41.31 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.8 p -40.16 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.67 161.22 44.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.096 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.8 -18.57 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 59.8 m-20 -90.33 -23.19 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -47.92 174.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.98 -156.17 26.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 tp -116.71 99.87 7.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.585 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.1 m-85 -81.17 145.55 30.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.59 116.76 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.2 p -97.67 126.86 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.29 119.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.517 HG21 HD23 ' A' ' 27' ' ' LEU . 14.9 p -102.65 129.63 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -93.19 118.8 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.5 p -126.39 154.05 74.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.27 3.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -121.35 -4.35 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.17 -149.73 21.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -155.86 126.45 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.79 170.95 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.9 m -150.8 134.21 16.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.4 m -127.16 119.99 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' C ' ' CG ' ' A' ' 84' ' ' PHE . 3.0 m-85 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 82' ' ' THR . 16.8 m-85 -156.7 107.27 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.5 t -83.65 104.88 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.39 151.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.15 105.06 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.962 HG22 ' CG2' ' A' ' 15' ' ' VAL . 25.9 t -100.98 118.24 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 140.6 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.92 -17.09 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.37 106.9 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 16' ' ' HIS . 9.1 mt -129.96 147.86 67.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 94.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -156.4 152.25 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -169.89 78.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.88 13.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 t -100.07 151.36 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.1 t -130.96 126.44 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 62.63 42.24 8.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -109.98 114.82 28.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.65 133.96 3.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -132.03 177.7 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -101.42 41.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.96 129.73 4.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.19 175.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -109.67 118.23 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.3 t -113.94 92.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.44 113.37 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -83.0 147.68 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -143.67 160.88 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.774 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -150.8 124.12 8.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.919 ' CG2' HG22 ' A' ' 88' ' ' VAL . 34.3 m -144.85 -175.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.6 169.27 14.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 90.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -9.27 2.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.21 -174.79 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.534 HD11 ' CG ' ' A' ' 57' ' ' GLU . 30.1 tp -109.83 107.37 17.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.8 tp -78.54 102.27 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.6 133.24 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.5 mt -129.18 166.88 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 26.7 ttp180 -142.98 142.87 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' GLU . 54.0 t -115.5 124.5 51.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -70.29 112.36 6.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 54' ' ' GLU . 81.7 mt -99.08 171.71 7.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -123.59 -174.69 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -87.47 -5.22 58.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.4 p30 -112.37 -29.85 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.0 t -34.22 136.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -114.17 -32.79 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -148.4 178.9 8.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.5 mt -138.55 149.09 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.9 t30 -132.22 101.84 5.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.641 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.4 m95 -78.62 133.35 37.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.8 mt -133.68 161.36 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.826 ' O ' HG12 ' A' ' 41' ' ' VAL . 37.6 ttp180 -151.99 116.41 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.61 25.46 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.44 7.33 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 38' ' ' ARG . 9.8 p -163.15 152.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.3 tp60 -56.78 136.08 55.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HG ' HD11 ' A' ' 51' ' ' ILE . 49.0 tp -87.35 152.13 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.01 148.66 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.61 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -99.61 158.43 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -158.78 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -39.82 -35.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -97.33 -61.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.619 HG23 HG22 ' A' ' 58' ' ' VAL . 15.9 m -65.72 137.4 57.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.4 tpt180 -141.37 111.04 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.61 HD12 ' CG ' ' A' ' 45' ' ' GLU . 53.5 mt -97.38 99.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -82.86 17.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 102.21 -70.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.8 pt-20 -106.97 -7.78 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -130.94 139.68 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.641 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 85.3 t -117.24 141.93 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.534 ' CG ' HD11 ' A' ' 20' ' ' LEU . 29.4 tt0 -139.43 119.18 13.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.619 HG22 HG23 ' A' ' 49' ' ' THR . 7.7 t -120.97 108.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -72.91 146.78 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.5 t70 51.29 42.37 28.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -41.02 163.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.38 161.43 44.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.612 0.72 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 1.49 4.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.62 -23.0 14.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.01 -20.85 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -50.08 174.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.8 -163.57 27.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.3 tp -109.98 98.54 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.5 m-85 -77.57 147.97 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.07 111.78 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -95.6 124.9 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 35' ' ' ASN . 38.5 t -115.26 122.42 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 p -101.92 129.21 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -88.56 109.58 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -121.3 155.72 58.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -113.85 -12.91 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.06 -134.33 3.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -161.07 111.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -81.25 162.03 23.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.461 HG23 HG22 ' A' ' 72' ' ' VAL . 6.6 m -149.38 124.29 9.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.1 m -120.45 121.84 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.57 157.95 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 82' ' ' THR . 10.4 m-85 -149.88 110.97 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 t -84.72 102.17 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -100.41 150.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.483 ' HB3' HD22 ' A' ' 14' ' ' LEU . 4.2 t30 -150.06 106.11 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.919 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.9 t -100.08 119.98 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -163.82 138.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -53.8 -31.1 47.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.79 124.75 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.32 155.99 73.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -3.54 12.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 m -73.3 142.94 47.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.81 151.3 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -123.04 156.65 34.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.5 p -96.74 88.57 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.483 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -152.84 114.54 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -85.32 165.66 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.02 121.53 3.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -74.58 120.6 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 m -107.63 124.91 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.65 136.51 13.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.49 161.88 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -81.94 110.75 17.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 83' ' ' TYR . 96.0 t -111.28 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.43 119.56 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -89.28 146.29 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -140.28 167.51 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.921 ' CG2' HG22 ' A' ' 88' ' ' VAL . 31.5 m -143.23 -174.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.51 169.65 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.2 Cg_endo -69.78 99.0 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.7 -8.6 6.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -86.0 -174.1 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.595 HD11 ' HG2' ' A' ' 57' ' ' GLU . 46.9 tp -111.26 106.66 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.74 109.58 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.4 134.57 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -127.5 173.89 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.6 ttm105 -152.76 139.97 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.52 116.78 27.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -61.08 112.82 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.855 HD22 HG11 ' A' ' 31' ' ' VAL . 75.5 mt -96.02 177.15 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -134.48 161.58 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.44 -9.77 37.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 m-20 -105.38 -31.95 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.855 HG11 HD22 ' A' ' 27' ' ' LEU . 11.6 t -34.34 142.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -118.52 -29.41 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -155.98 176.81 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.697 ' CD1' HD21 ' A' ' 27' ' ' LEU . 16.4 mt -139.87 142.43 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -126.14 106.88 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.521 ' CD1' HG23 ' A' ' 51' ' ' ILE . 68.4 m95 -80.74 134.47 35.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -132.36 157.33 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.559 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 29.7 ttp180 -146.71 114.27 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.04 25.55 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.29 50.56 4.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -170.22 148.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 111.14 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 129.25 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 51' ' ' ILE . 36.8 tp -78.77 157.48 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.82 153.08 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.041 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.39 160.58 14.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.17 -178.14 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.07 -23.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -108.74 -58.3 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.53 HG23 HG22 ' A' ' 58' ' ' VAL . 33.6 m -65.34 136.05 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.1 tpt180 -137.91 110.12 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.6 mt -99.84 103.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -89.24 19.7 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.41 -67.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' OE1' HD12 ' A' ' 27' ' ' LEU . 4.5 pt-20 -116.18 -1.74 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -132.37 119.86 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 82.1 t -102.47 140.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' A' ' 20' ' ' LEU . 37.8 tt0 -139.16 115.22 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.53 HG22 HG23 ' A' ' 49' ' ' THR . 11.3 t -117.3 113.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HG2' HD13 ' A' ' 20' ' ' LEU . 76.3 mt-30 -78.4 146.54 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t70 54.34 39.6 31.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 54.0 p -39.05 159.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.85 161.79 44.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -19.4 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.8 -25.55 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -45.42 169.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.13 -164.23 28.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.77 95.31 5.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.559 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.7 m-85 -77.86 137.57 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.65 121.46 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.7 p -101.97 125.11 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 81' ' ' THR . 19.5 t -114.9 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.499 HG21 HD23 ' A' ' 27' ' ' LEU . 31.9 p -100.99 128.47 47.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -88.54 107.04 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.7 p -123.1 152.73 63.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 2.35 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -115.24 -8.86 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.7 130.73 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -73.13 117.94 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -88.74 -177.66 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.451 HG23 HG22 ' A' ' 72' ' ' VAL . 4.1 m -158.49 129.87 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -124.59 118.11 25.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.556 ' HB2' HG22 ' A' ' 10' ' ' VAL . 97.0 m-85 -89.64 155.6 19.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -147.58 108.14 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -79.95 107.25 12.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.53 146.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.434 ' HB3' HD22 ' A' ' 14' ' ' LEU . 3.0 t30 -146.51 105.66 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.921 HG22 ' CG2' ' A' ' 15' ' ' VAL . 50.5 t -99.95 120.7 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -164.55 145.04 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -16.87 49.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.16 111.91 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 16' ' ' HIS . 10.5 mt -138.93 152.05 69.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -64.64 159.28 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.55 98.17 0.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -177.39 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.737 2.291 . . . . 0.0 112.3 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.2 m -65.89 122.26 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.5 p -96.48 -51.96 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -131.73 120.3 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -47.95 157.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.84 -172.06 19.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -97.7 149.55 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -101.38 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.61 132.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -142.06 170.43 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -98.63 111.83 24.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.2 94.96 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.36 116.04 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -86.0 146.2 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.8 m-85 -142.47 159.96 41.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.9 tm? -149.88 128.73 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.993 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.0 m -149.13 -174.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.503 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.32 170.49 11.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.8 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.03 -7.85 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -85.97 -175.38 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 tp -109.95 108.5 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.48 109.87 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -118.33 125.35 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.84 175.2 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 21.6 ttt-85 -150.54 142.69 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.5 t -118.59 122.36 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 16.7 ptt180 -68.92 114.81 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.798 HD22 HG11 ' A' ' 31' ' ' VAL . 94.4 mt -99.59 167.34 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -117.83 -178.83 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -82.06 -12.07 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 31' ' ' VAL . 7.9 p30 -105.6 -30.81 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.798 HG11 HD22 ' A' ' 27' ' ' LEU . 7.0 t -34.6 137.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.52 -37.07 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.12 178.3 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.739 ' CD1' HD21 ' A' ' 27' ' ' LEU . 29.1 mt -140.51 142.14 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -123.95 110.77 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.587 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.7 m95 -85.25 133.2 34.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.3 mt -132.8 164.48 26.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.725 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.2 ttp180 -152.74 116.47 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.3 27.3 16.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.15 7.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.5 p -163.14 146.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.313 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.513 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.5 tp-100 -52.57 133.45 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 51' ' ' ILE . 36.7 tp -86.62 148.86 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.35 151.98 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.047 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.8 mt-10 -98.29 154.36 17.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ARG . 99.2 p -151.51 173.92 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 29.2 t-20 -34.45 -32.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' SER . 68.1 mtm-85 -99.82 -60.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.615 HG23 HG22 ' A' ' 58' ' ' VAL . 24.8 m -63.46 143.59 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.4 tpt180 -146.56 119.51 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.1 mt -107.82 103.7 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -87.87 12.98 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.88 -67.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.3 pt-20 -115.57 1.11 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -136.41 123.87 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 97.4 t -103.53 143.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' ARG . 51.2 tt0 -142.39 118.06 10.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.615 HG22 HG23 ' A' ' 49' ' ' THR . 10.7 t -121.98 116.04 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -78.98 147.58 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.5 t70 50.12 43.66 25.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 65.5 p -39.78 161.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.58 161.48 49.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -24.19 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -84.95 -22.37 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -50.43 177.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.67 -157.81 24.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.8 tp -113.94 101.29 9.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 17.7 m-85 -81.81 144.44 31.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.8 118.38 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.4 p -100.92 125.57 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.2 119.91 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.524 HG21 HD23 ' A' ' 27' ' ' LEU . 18.9 p -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.4 m -90.55 117.88 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.0 p -126.55 154.66 75.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.32 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -119.77 -7.95 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.31 -141.54 7.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p -162.73 117.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -91.72 172.81 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -151.41 138.89 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.476 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.2 m -131.38 121.47 24.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -93.43 156.2 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 12.4 m-85 -148.58 107.35 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t -79.38 109.32 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.63 148.23 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -148.3 105.01 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.993 HG22 ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -101.0 115.68 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -158.27 142.55 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -24.93 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.45 121.4 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.93 152.07 55.8 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.66 35.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 t -38.65 127.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 96' ' ' PRO . . . -50.31 115.85 3.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 95' ' ' GLY . 53.7 Cg_endo -69.8 -174.14 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.255 . . . . 0.0 112.305 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t -115.07 -62.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.4 p -78.89 149.44 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -130.7 128.14 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -149.31 142.03 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.67 64.19 0.48 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -156.12 122.64 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -111.27 134.39 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 54.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -139.36 168.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.119 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.412 ' H ' HG12 ' A' ' 8' ' ' VAL . 10.1 pt-20 -87.18 100.88 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.33 99.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.45 113.76 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.54 147.8 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' SER . 37.8 m-85 -142.46 161.35 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -150.94 127.89 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.942 ' CG2' HG22 ' A' ' 88' ' ' VAL . 32.3 m -149.43 -175.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.558 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.92 169.72 12.99 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.8 -12.92 4.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.56 -174.06 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.1 tp -111.24 106.35 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.3 tp -78.85 108.48 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -114.93 135.41 54.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -131.85 172.31 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttp-105 -152.48 142.76 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.83 126.71 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 -65.42 115.11 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' CD2' HG21 ' A' ' 73' ' ' THR . 23.8 mt -110.89 -178.44 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 1.003 ' HG2' HG23 ' A' ' 31' ' ' VAL . 8.1 ptm180 -152.52 178.15 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 8.55 3.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.36 -35.9 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.003 HG23 ' HG2' ' A' ' 28' ' ' ARG . 6.2 t -38.0 139.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -112.22 -39.35 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -146.84 -179.95 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 27' ' ' LEU . 12.3 mt -140.24 140.39 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 t30 -127.81 102.92 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.502 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 69.7 m95 -79.11 137.89 37.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' GLN . 10.2 mt -136.22 163.82 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.832 ' O ' HG12 ' A' ' 41' ' ' VAL . 31.8 ttp85 -152.43 115.27 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.39 26.4 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.66 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.832 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -162.82 147.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -55.27 128.18 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 38' ' ' ARG . 31.3 tp -81.87 148.27 28.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.56 166.53 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -108.45 162.55 14.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 t -159.55 175.3 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -39.46 -31.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -99.28 -55.87 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.4 m -68.9 139.01 55.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.9 tpt180 -141.67 109.2 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 53' ' ' GLY . 57.9 mt -100.68 105.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -86.15 17.28 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 105.87 -63.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.28 5.91 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.39 122.49 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 72.9 t -102.52 134.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' ARG . 30.9 tt0 -136.01 116.56 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -118.59 118.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -80.15 141.42 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.7 t70 55.0 45.01 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.5 p -40.44 162.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.55 161.59 43.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.152 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 -24.23 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 73.9 m-20 -85.1 -23.23 28.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -49.84 176.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.19 -154.73 25.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 tp -116.88 95.45 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.3 m-85 -75.79 139.45 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.92 116.79 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -99.84 126.61 45.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 81' ' ' THR . 17.2 t -117.42 118.82 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 27' ' ' LEU . 21.1 p -104.66 133.17 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -86.7 113.29 22.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 p -127.94 151.88 76.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -2.24 9.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -111.88 -10.34 13.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.97 128.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -67.82 115.18 7.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -84.22 174.22 10.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 HG22 ' A' ' 72' ' ' VAL . 6.2 m -152.19 129.27 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.3 m -123.15 120.12 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -92.23 156.9 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 82' ' ' THR . 13.9 m-85 -150.2 106.13 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -79.61 108.41 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.87 141.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.58 ' HB3' HD22 ' A' ' 14' ' ' LEU . 10.9 t30 -140.25 105.25 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.942 HG22 ' CG2' ' A' ' 15' ' ' VAL . 38.2 t -100.14 115.94 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -160.31 139.77 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -25.45 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.53 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mp -108.58 153.12 42.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.39 5.73 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -52.37 166.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.7 -173.12 34.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.14 9.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 89.7 p 39.85 42.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m -70.86 98.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -128.88 128.19 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -107.21 119.51 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.24 -148.22 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -81.4 176.8 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -107.33 177.61 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.66 123.48 1.48 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.7 167.06 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -94.83 112.32 24.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t -104.74 93.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.6 113.04 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 t -82.9 150.08 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.3 m-85 -141.32 174.08 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -162.68 124.04 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.01 ' CG2' HG22 ' A' ' 88' ' ' VAL . 33.2 m -146.68 -174.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.502 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -134.03 170.36 11.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 94.8 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.51 -6.89 4.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.87 -174.11 4.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.669 HD11 ' CG ' ' A' ' 57' ' ' GLU . 45.1 tp -111.05 107.61 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -80.12 102.74 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -108.69 128.54 54.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.36 164.6 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 44.9 ttt180 -141.55 144.67 34.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.1 t -120.35 116.06 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -60.03 110.0 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 54' ' ' GLU . 31.8 mt -98.19 172.31 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' H ' ' CG2' ' A' ' 31' ' ' VAL . 13.5 mtp85 -127.73 161.1 29.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -13.64 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' VAL . 65.7 m-20 -100.12 -31.69 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.5 t -33.04 143.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -119.04 -29.11 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -155.1 177.5 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD11 HD11 ' A' ' 27' ' ' LEU . 6.6 mt -139.61 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.5 t30 -130.18 101.86 5.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 65.0 m95 -78.11 137.53 38.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.0 mt -135.39 160.66 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.785 ' O ' HG12 ' A' ' 41' ' ' VAL . 30.7 ttp180 -151.15 115.0 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.24 25.87 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.52 44.63 7.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 38' ' ' ARG . 7.4 p -163.59 153.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.5 tp-100 -58.34 133.29 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.43 155.87 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.49 152.49 51.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.7 mt-10 -99.82 157.78 16.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -157.18 -178.16 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -42.79 -35.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -96.51 -56.53 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 58' ' ' VAL . 16.7 m -67.42 135.41 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.8 tpt180 -140.56 106.23 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 36.1 mt -95.66 105.61 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.1 p -93.14 30.35 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 97.54 -69.73 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.555 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.1 pt-20 -118.8 6.61 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -137.55 117.45 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 51' ' ' ILE . 69.4 t -103.16 141.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.669 ' CG ' HD11 ' A' ' 20' ' ' LEU . 28.5 tt0 -138.86 117.21 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 49' ' ' THR . 10.0 t -117.39 108.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.402 ' HG2' HD13 ' A' ' 20' ' ' LEU . 62.8 mt-30 -74.4 142.05 45.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.9 t0 56.38 42.72 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 51.8 p -41.59 164.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.28 161.17 45.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.32 2.86 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.677 2.252 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.99 -21.17 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.31 -21.1 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -47.91 174.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.54 -163.7 27.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.0 tp -110.24 95.26 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.474 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.0 m-85 -74.86 137.51 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.11 117.16 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -99.11 125.59 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 35' ' ' ASN . 13.0 t -113.98 119.08 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.4 p -105.09 132.45 51.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -95.55 120.14 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.8 p -133.49 152.45 79.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.12 13.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -111.19 -11.97 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.75 120.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -68.04 146.87 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -117.81 173.45 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -146.72 129.87 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.5 m -122.81 121.27 35.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.12 155.46 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.476 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 14.0 m-85 -148.33 109.5 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.4 t -81.69 107.44 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.9 t -105.03 148.56 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.67 108.41 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.01 HG22 ' CG2' ' A' ' 15' ' ' VAL . 47.0 t -102.09 118.76 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -156.39 140.55 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.484 ' HB3' ' CG ' ' A' ' 17' ' ' PRO . 9.9 p-10 -76.78 -29.71 56.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.9 23.13 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -45.77 153.64 0.62 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 0.37 5.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.59 ' O ' HD22 ' A' ' 92' ' ' LEU . 98.3 p -166.66 136.47 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.53 166.44 36.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.75 30.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m -97.51 169.14 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -120.73 120.85 36.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -129.26 137.05 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -134.36 137.19 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 -62.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -51.9 164.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.9 p -127.59 43.2 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.3 117.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.79 166.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.87 103.7 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.14 97.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.06 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.79 113.34 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -83.97 150.82 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.5 m-85 -143.61 167.0 23.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.5 tm? -156.65 127.25 6.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.914 ' CG2' HG22 ' A' ' 88' ' ' VAL . 24.8 m -149.11 -175.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.63 169.58 13.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.627 0.727 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.71 91.69 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.58 -7.04 3.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.42 -175.5 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 57' ' ' GLU . 47.8 tp -108.97 108.67 19.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.02 108.14 13.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.51 174.76 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 14.1 ttp-105 -150.63 142.99 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -116.21 125.77 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mtp85 -71.78 114.4 9.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' CD2' HG21 ' A' ' 73' ' ' THR . 74.4 mt -103.51 179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -131.17 -178.17 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -82.26 -6.81 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' VAL . 13.9 m-20 -109.4 -31.19 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.4 t -33.49 138.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -112.31 -39.87 4.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -144.28 178.49 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 mt -139.02 146.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.4 t30 -128.84 108.78 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.9 m95 -83.89 132.68 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.5 mt -132.28 161.96 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.796 ' O ' HG12 ' A' ' 41' ' ' VAL . 39.5 ttp180 -151.2 117.45 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.77 25.81 15.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 47.47 5.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.2 p -166.19 147.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.544 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.5 tp-100 -53.06 132.43 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD11 ' A' ' 51' ' ' ILE . 26.3 tp -84.26 148.59 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.48 149.76 49.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -99.63 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.8 p -161.85 -179.75 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -39.76 -33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -98.12 -60.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 58' ' ' VAL . 22.3 m -66.74 138.25 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tpt180 -141.28 111.01 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.621 HG23 ' CD1' ' A' ' 36' ' ' TRP . 57.3 mt -98.58 101.85 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.3 p -85.34 16.33 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.33 -64.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.08 -0.0 11.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -135.77 120.11 17.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.584 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 76.1 t -99.08 138.81 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.106 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' CG ' HD11 ' A' ' 20' ' ' LEU . 42.2 tt0 -137.49 116.24 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 49' ' ' THR . 8.9 t -120.9 115.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -80.26 147.91 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 1.7 t70 53.44 38.24 27.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 73.8 p -37.83 157.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -141.03 162.17 49.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.53 2.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.63 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 62' ' ' VAL . 27.9 m-20 -83.53 -24.08 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -49.17 172.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 -156.15 26.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.8 tp -114.18 98.75 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 28.1 m-85 -79.07 142.09 36.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.64 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.76 126.69 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' ASN . 12.1 t -117.98 122.56 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.414 HG21 ' CD2' ' A' ' 27' ' ' LEU . 43.9 p -104.18 134.57 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -96.19 104.98 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -114.82 156.64 44.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.17 6.08 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.2 t -113.62 -13.26 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.46 -143.09 8.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -156.13 111.38 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -87.56 168.19 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.7 m -150.55 131.55 14.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.9 m -124.96 123.63 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -94.04 159.43 15.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 11.9 m-85 -151.37 109.13 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.7 t -82.48 108.29 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.6 t -106.14 149.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -148.27 105.04 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.914 HG22 ' CG2' ' A' ' 15' ' ' VAL . 39.9 t -99.67 119.62 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -163.87 143.85 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.6 -18.52 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 108.99 8.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 14' ' ' LEU . 5.0 mt -133.31 151.65 77.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.5 37.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -69.58 97.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -41.06 138.04 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -11.01 30.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.404 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.0 m -113.63 151.48 31.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 m -54.88 -58.13 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.1 t -115.9 141.86 47.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 57.5 p -34.82 -37.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -168.19 159.77 33.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -76.5 156.72 32.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.9 m -112.15 161.04 16.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.67 85.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.65 167.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.65 91.96 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.47 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.71 107.47 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -77.59 144.65 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -137.55 171.92 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.4 tm? -160.0 128.51 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.97 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.5 m -149.92 -175.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.53 170.01 12.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.3 Cg_endo -69.74 95.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.2 -7.53 5.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.28 -175.25 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 57' ' ' GLU . 35.3 tp -109.45 109.15 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 tp -83.76 104.05 13.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -111.22 129.25 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.67 169.67 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -147.39 138.37 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.7 t -111.6 116.78 31.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -58.59 112.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 54' ' ' GLU . 52.2 mt -101.93 167.85 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -127.68 172.82 10.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.41 -7.86 54.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 31' ' ' VAL . 51.2 m-20 -105.82 -32.61 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.1 t -32.59 141.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -120.74 -34.06 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.1 t -146.43 179.46 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 33' ' ' SER . 9.6 mt -144.09 142.49 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -127.23 111.52 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 67.4 m95 -87.96 134.9 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -135.26 160.57 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.785 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.2 ttp85 -150.88 115.29 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.07 25.17 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 47.75 5.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -166.35 147.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -55.38 125.86 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 51' ' ' ILE . 37.7 tp -75.14 150.08 38.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.98 152.78 48.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -100.25 157.04 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -154.34 -179.96 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -39.47 -35.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -98.22 -59.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.592 HG23 HG22 ' A' ' 58' ' ' VAL . 22.1 m -65.48 135.46 55.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.0 tpt180 -140.17 107.77 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.557 HG12 HG22 ' A' ' 56' ' ' VAL . 42.4 mt -96.47 102.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.4 p -85.08 15.48 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 107.79 -65.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.6 pt-20 -113.52 -3.6 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -132.2 130.41 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 51' ' ' ILE . 69.3 t -112.85 126.26 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 20' ' ' LEU . 43.3 tt0 -125.82 118.56 25.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.592 HG22 HG23 ' A' ' 49' ' ' THR . 10.5 t -118.15 114.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -79.84 141.4 36.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 t0 58.53 40.25 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -38.81 159.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.21 161.54 50.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.63 2.67 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.59 -24.57 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -83.13 -22.52 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.9 p -51.45 173.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.48 -145.09 13.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD11 ' HD2' ' A' ' 83' ' ' TYR . 2.5 tm? -125.03 100.83 6.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.2 m-85 -82.72 141.01 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.5 111.67 7.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.6 p -96.52 127.43 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 80' ' ' ASP . 17.4 t -118.48 119.2 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 p -102.52 130.21 49.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -88.57 120.13 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -135.98 152.66 76.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 0.01 6.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -114.09 -6.44 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.71 130.15 2.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 p -74.52 121.69 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.7 t0 -91.87 -179.64 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.466 HG23 HG22 ' A' ' 72' ' ' VAL . 14.7 m -156.03 134.2 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.2 m -127.76 122.93 34.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.769 ' HD2' HD11 ' A' ' 68' ' ' LEU . 93.9 m-85 -93.48 160.73 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.7 m-85 -154.06 106.0 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -78.63 106.85 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.7 t -102.63 141.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -143.27 105.47 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.97 HG22 ' CG2' ' A' ' 15' ' ' VAL . 40.0 t -100.76 118.94 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -162.51 139.02 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.41 -26.1 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.606 ' C ' HD12 ' A' ' 92' ' ' LEU . . . -82.99 130.02 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.606 HD12 ' C ' ' A' ' 91' ' ' ALA . 5.7 mp -138.31 145.74 48.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.741 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -72.1 -50.32 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.05 118.21 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t -93.8 105.94 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.805 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 m -52.44 131.96 34.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -67.59 94.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -139.75 162.86 34.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 -169.02 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -110.52 42.16 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 p -135.17 146.14 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.09 -57.83 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.67 165.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -100.29 122.5 43.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 83' ' ' TYR . 94.4 t -110.26 93.14 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.23 115.58 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -83.36 147.75 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -142.03 167.11 22.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.8 tm? -155.17 126.25 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.903 ' CG2' HG22 ' A' ' 88' ' ' VAL . 26.8 m -147.61 -174.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.27 170.19 11.97 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.6 Cg_endo -69.73 92.23 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.28 -9.57 3.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.97 -174.54 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 57' ' ' GLU . 35.9 tp -110.1 108.22 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.5 tp -81.03 101.98 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -109.22 134.22 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.74 172.19 11.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -150.12 140.35 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -113.35 121.11 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 20.8 ptt85 -65.8 115.51 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.548 ' CD2' HG21 ' A' ' 73' ' ' THR . 61.8 mt -111.83 -175.25 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.951 ' HG2' HG23 ' A' ' 31' ' ' VAL . 8.9 ptm180 -149.31 -179.06 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.22 9.11 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.25 -34.36 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.951 HG23 ' HG2' ' A' ' 28' ' ' ARG . 5.5 t -39.32 134.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -105.53 -42.03 5.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.99 178.01 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 mt -138.23 142.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' VAL . 2.0 t-20 -128.76 102.85 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CD1' HG23 ' A' ' 51' ' ' ILE . 69.3 m95 -77.46 135.61 38.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mt -132.2 164.5 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.828 ' O ' HG12 ' A' ' 41' ' ' VAL . 16.7 ttp85 -153.14 114.12 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.35 25.6 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.13 45.58 5.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.1 p -164.08 150.45 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -55.93 128.64 36.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' HG ' HD11 ' A' ' 51' ' ' ILE . 24.2 tp -81.76 148.12 29.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.33 160.09 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -108.89 161.61 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 p -159.6 -177.51 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -40.52 -35.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -97.82 -59.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 HG22 ' A' ' 58' ' ' VAL . 25.3 m -67.32 142.93 56.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.6 tpt180 -147.51 118.8 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.563 HG23 ' CD1' ' A' ' 36' ' ' TRP . 42.9 mt -105.95 102.96 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.0 p -83.56 11.6 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.45 -61.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.1 pt-20 -114.98 -2.38 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -137.81 132.46 32.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 75.8 t -110.93 140.85 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 20' ' ' LEU . 32.7 tt0 -139.48 119.73 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.604 HG22 HG23 ' A' ' 49' ' ' THR . 8.6 t -121.66 112.21 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -75.85 143.72 41.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.3 t70 53.5 43.92 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.1 p -41.11 163.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.2 161.16 46.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.159 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.45 -25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 75.2 m-20 -83.76 -24.14 31.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.6 p -47.76 174.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.04 -155.64 26.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.0 tp -116.67 94.5 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 44.9 m-85 -76.35 137.86 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.74 116.78 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.6 p -97.31 125.03 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.1 t -114.85 119.15 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.548 HG21 ' CD2' ' A' ' 27' ' ' LEU . 43.0 p -105.85 135.03 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.4 m -90.78 112.17 23.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -126.62 151.75 73.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.17 8.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -113.05 -11.35 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.0 128.23 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -67.38 116.66 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' OD2' ' NH2' ' A' ' 26' ' ' ARG . 2.1 t70 -86.19 172.3 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -151.66 133.97 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.2 m -128.84 116.77 19.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 10' ' ' VAL . 82.8 m-85 -89.55 158.04 17.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.5 m-85 -149.84 106.13 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 t -79.7 104.56 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.23 145.52 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.72 105.03 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.903 HG22 ' CG2' ' A' ' 15' ' ' VAL . 25.1 t -99.62 117.59 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -159.93 141.6 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -62.42 -15.15 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.82 106.16 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 16' ' ' HIS . 17.4 mt -131.81 151.52 78.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' SER . 54.1 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' PRO . 11.3 m -36.31 -46.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.96 142.24 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 164.62 33.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -172.65 160.05 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.4 t -114.22 160.86 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 60.35 47.76 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -102.56 -41.57 6.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -119.29 173.42 15.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.6 m -35.41 131.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -109.46 157.32 19.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 144.51 16.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.82 161.14 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.05 117.53 30.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.6 t -108.5 92.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.6 117.47 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -85.22 146.71 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.35 156.79 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -147.05 128.21 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.811 ' N ' HD13 ' A' ' 14' ' ' LEU . 29.8 m -148.42 -175.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -130.59 169.58 13.25 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.69 91.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.51 -12.59 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.64 -176.16 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 57' ' ' GLU . 43.6 tp -108.74 109.32 20.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.46 107.28 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -113.72 136.12 53.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -131.27 170.54 14.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -148.59 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -116.03 131.63 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 8.0 mtm105 -71.07 109.51 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.95 168.06 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' H ' ' CG2' ' A' ' 31' ' ' VAL . 19.6 mtp85 -127.01 166.79 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -12.86 61.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' VAL . 57.5 m-20 -103.93 -28.93 11.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' CG2' ' H ' ' A' ' 28' ' ' ARG . 3.2 t -34.34 142.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -117.11 -35.13 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -149.95 178.36 8.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -139.4 142.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -125.49 106.03 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CD1' HG23 ' A' ' 51' ' ' ILE . 62.9 m95 -81.18 131.77 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 41' ' ' VAL . 9.3 mt -129.51 164.26 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.794 ' O ' HG12 ' A' ' 41' ' ' VAL . 40.7 ttp180 -152.73 116.22 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.58 25.76 15.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.37 48.89 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -168.13 153.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -58.8 128.73 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.561 ' HG ' HD11 ' A' ' 51' ' ' ILE . 29.8 tp -79.75 153.93 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.68 151.0 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.85 159.46 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -157.63 178.94 9.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -37.76 -35.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -96.78 -59.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.613 HG23 HG22 ' A' ' 58' ' ' VAL . 11.7 m -63.58 140.68 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.197 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.6 tpt180 -144.16 110.47 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.599 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.5 mt -101.8 103.42 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -87.43 14.26 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.86 -61.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -120.33 -4.35 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -131.56 118.34 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 89.0 t -99.7 144.4 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ARG . 53.9 tt0 -142.66 117.37 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.613 HG22 HG23 ' A' ' 49' ' ' THR . 5.7 t -119.53 110.07 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -75.72 139.81 42.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.1 t70 58.17 43.73 20.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.3 p -40.27 162.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.55 160.9 46.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.53 -18.33 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.07 -14.98 32.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 m -52.04 173.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.52 -167.65 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.7 tp -107.74 98.08 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.5 m-85 -78.69 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.91 120.14 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p -100.19 125.2 46.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.2 t -115.23 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -102.64 130.35 49.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m -92.14 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.7 p -122.87 154.8 64.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 m -119.02 -7.87 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -145.55 12.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -157.25 116.75 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -90.33 168.28 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -150.95 122.26 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.473 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -116.48 120.02 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -92.05 159.43 15.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 82' ' ' THR . 15.1 m-85 -152.56 107.38 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -82.28 104.3 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.3 t -99.87 149.42 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.553 ' HB3' HD22 ' A' ' 14' ' ' LEU . 12.6 t30 -149.17 105.14 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 15' ' ' VAL . 22.0 t -99.49 120.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -161.76 141.3 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -14.0 18.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.94 115.05 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 16' ' ' HIS . 13.5 mt -137.35 150.11 67.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.31 13.76 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -39.04 -53.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 111.28 -173.91 16.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.63 30.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 m -147.55 127.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 m -123.77 110.5 14.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -90.07 -57.36 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -59.27 142.51 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.5 -174.79 13.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -41.51 144.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.853 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -128.74 130.04 46.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.18 113.84 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -139.33 163.59 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.1 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.31 103.78 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.0 t -103.69 99.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.03 116.48 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -85.56 145.21 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -139.56 164.51 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -153.18 125.56 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.935 ' CG2' HG22 ' A' ' 88' ' ' VAL . 34.5 m -147.76 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.8 170.23 11.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.848 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.78 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -12.37 3.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.4 -174.41 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.8 tp -110.87 106.38 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 tp -78.95 103.61 9.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -111.17 131.57 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -126.46 167.67 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 14.0 ttp-105 -148.11 139.91 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.3 t -109.07 129.27 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -68.59 114.59 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' CD2' HG21 ' A' ' 73' ' ' THR . 44.9 mt -109.82 -174.85 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.976 ' HG2' HG23 ' A' ' 31' ' ' VAL . 1.7 ptm85 -153.51 -179.92 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.27 11.53 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' VAL . 38.4 m-20 -119.97 -35.26 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.976 HG23 ' HG2' ' A' ' 28' ' ' ARG . 6.0 t -37.2 139.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -116.02 -31.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -152.41 177.06 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 mt -140.52 143.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' VAL . 24.7 t30 -129.73 104.64 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.469 ' CE2' HG23 ' A' ' 56' ' ' VAL . 73.7 m95 -80.1 140.97 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.0 mt -140.4 166.03 25.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.863 ' O ' HG12 ' A' ' 41' ' ' VAL . 8.1 ttp-105 -154.15 118.13 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 59.11 25.4 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.71 43.62 6.76 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.2 p -159.68 150.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.486 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -57.1 126.62 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' A' ' 51' ' ' ILE . 57.7 tp -76.28 148.81 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.38 156.41 44.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CG ' HD12 ' A' ' 51' ' ' ILE . 1.9 mt-10 -103.98 164.57 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -160.32 -176.61 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.76 -31.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -102.04 -56.95 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 HG22 ' A' ' 58' ' ' VAL . 28.6 m -67.47 140.08 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -145.4 114.88 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 56' ' ' VAL . 40.0 mt -102.74 109.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -91.07 15.49 11.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.521 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 104.98 -62.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -117.57 3.05 12.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -141.22 125.75 17.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 51' ' ' ILE . 76.4 t -109.76 134.5 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' CG ' HD11 ' A' ' 20' ' ' LEU . 28.2 tt0 -133.37 118.7 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.603 HG22 HG23 ' A' ' 49' ' ' THR . 7.7 t -118.76 114.02 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.19 147.3 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.0 t70 48.09 46.65 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 57.9 p -42.4 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -145.68 161.29 41.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 111.137 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.55 2.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 -25.76 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 66.2 m-20 -83.3 -23.01 32.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.1 p -50.89 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.27 -156.09 25.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.95 93.21 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -74.08 147.48 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.69 117.2 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.1 p -100.11 126.0 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' ASN . 4.8 t -116.68 120.36 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.51 HG21 ' CD2' ' A' ' 27' ' ' LEU . 23.7 p -104.99 136.29 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -92.66 112.0 23.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 p -127.57 151.43 75.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.88 7.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -112.96 -10.99 13.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.85 130.1 2.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 117.12 13.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.07 168.47 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -145.47 136.55 24.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -128.46 117.62 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -90.06 158.61 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.0 m-85 -150.7 107.74 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.94 98.87 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -95.62 146.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -145.97 104.98 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.935 HG22 ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -99.86 117.49 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -160.35 142.07 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -27.81 67.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' C ' HD12 ' A' ' 92' ' ' LEU . . . -86.52 127.12 34.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 91' ' ' ALA . 6.5 mp -121.55 152.09 57.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.68 33.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 p -49.97 156.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.22 149.55 9.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -4.78 14.73 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.64 2.227 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.1 p -55.21 138.28 45.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 p -157.74 153.14 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.8 m 37.3 51.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.19 -99.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -117.55 131.28 56.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t -102.28 96.39 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.6 102.35 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 m -125.31 170.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' OE1' ' NH1' ' A' ' 26' ' ' ARG . 5.4 pt-20 -95.28 114.41 26.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 83' ' ' TYR . 53.0 t -110.52 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.71 115.49 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -84.84 149.51 25.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.9 m-85 -141.89 168.48 19.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.9 tm? -155.73 128.02 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.987 ' CG2' HG22 ' A' ' 88' ' ' VAL . 28.4 m -150.48 -175.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.9 170.17 11.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.76 98.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.95 -9.73 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.41 -174.02 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.9 tp -110.0 110.27 21.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.09 108.75 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 10.0 mt-30 -114.21 131.62 56.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -125.0 164.23 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.2 ttp85 -142.12 137.78 31.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.1 t -113.43 121.13 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 14.8 ptt180 -65.13 112.57 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD23 HG21 ' A' ' 73' ' ' THR . 48.9 mt -99.21 -176.67 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -137.82 -178.89 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -2.49 58.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' VAL . 12.2 m-20 -113.1 -28.51 7.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.528 HG11 HD22 ' A' ' 27' ' ' LEU . 4.0 t -34.6 145.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -118.77 -34.13 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -151.49 178.64 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.89 139.4 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -124.92 108.76 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.481 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 67.7 m95 -83.42 139.15 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.1 mt -137.43 164.91 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.775 ' O ' HG12 ' A' ' 41' ' ' VAL . 39.7 ttp180 -152.92 116.31 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 60.38 26.12 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.09 43.62 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.775 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.9 p -160.4 146.45 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.511 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -54.72 128.96 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HG ' HD11 ' A' ' 51' ' ' ILE . 25.3 tp -80.65 148.19 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.17 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.598 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -95.11 156.72 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -152.07 177.06 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.8 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -101.34 -57.37 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.513 HG23 HG22 ' A' ' 58' ' ' VAL . 45.6 m -67.57 141.19 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.8 tpt180 -143.74 114.35 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.598 HD12 ' CG ' ' A' ' 45' ' ' GLU . 48.9 mt -100.61 106.68 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.6 p -90.52 14.94 11.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 110.43 -69.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.46 1.12 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -133.94 127.3 32.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 77.0 t -109.03 130.2 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ARG . 41.1 tt0 -127.99 120.45 27.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.513 HG22 HG23 ' A' ' 49' ' ' THR . 6.9 t -121.1 115.22 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -77.49 147.11 36.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 50.0 44.32 25.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.1 p -40.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.35 161.52 41.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.675 0.75 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.53 4.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.397 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.0 -16.46 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.85 -25.23 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -47.52 175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.26 -149.91 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.8 100.03 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -82.0 137.96 35.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.45 117.92 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 p -98.94 126.63 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -115.58 116.41 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.592 HG21 HD23 ' A' ' 27' ' ' LEU . 18.1 p -103.0 129.7 49.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -91.15 123.17 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 p -133.28 151.28 77.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.63 5.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -119.84 -4.36 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.3 125.04 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -71.88 155.16 40.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -122.73 179.63 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -151.89 130.78 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -126.36 115.95 20.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.559 ' HB2' HG22 ' A' ' 10' ' ' VAL . 87.9 m-85 -88.36 157.79 18.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -149.57 108.78 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.4 t -82.05 110.45 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.81 148.67 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -146.93 105.36 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.987 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.8 t -101.38 115.41 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -158.97 140.86 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -58.2 -15.61 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.45 111.09 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 14' ' ' LEU . 11.4 mt -137.7 150.45 68.07 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.66 30.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.5 t -64.74 107.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 96' ' ' PRO . . . 137.32 112.05 1.1 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 95' ' ' GLY . 53.2 Cg_endo -69.76 -37.65 8.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.768 2.312 . . . . 0.0 112.29 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 m -82.11 140.54 33.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.8 t -102.34 123.93 47.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -123.41 -50.43 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -61.63 96.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.76 2.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -141.51 122.32 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -85.84 134.86 33.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.69 135.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -144.08 172.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.4 114.83 26.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.565 HG22 ' HB2' ' A' ' 83' ' ' TYR . 85.1 t -113.58 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -63.19 117.71 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -84.59 147.45 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' SER . 36.3 m-85 -143.07 160.31 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.844 HD11 HD23 ' A' ' 92' ' ' LEU . 1.4 tm? -151.85 123.25 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.964 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.7 m -142.69 -174.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.703 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.94 169.54 13.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.71 . . . . 0.0 110.811 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.84 98.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.617 2.211 . . . . 0.0 112.345 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.85 -7.35 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.74 -174.4 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 57' ' ' GLU . 44.9 tp -109.79 109.33 19.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.9 105.31 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.53 135.44 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -128.08 172.61 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 38.6 ttp180 -151.45 139.5 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -111.33 145.62 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -80.08 117.32 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 31' ' ' VAL . 37.0 mt -114.85 178.84 4.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.994 ' HG2' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -154.55 170.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.73 -2.24 6.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.74 -36.17 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.994 HG23 ' HG2' ' A' ' 28' ' ' ARG . 2.8 t -38.33 139.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -117.67 -30.63 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -152.21 178.78 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.8 139.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -122.94 105.76 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.512 ' CD1' HG23 ' A' ' 51' ' ' ILE . 65.3 m95 -81.9 135.88 35.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.6 mt -136.29 159.68 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.771 ' O ' HG12 ' A' ' 41' ' ' VAL . 29.9 ttp85 -150.12 115.72 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 26.0 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.49 47.62 5.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 38' ' ' ARG . 7.6 p -166.99 150.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.7 tp60 -56.13 131.4 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 51' ' ' ILE . 38.2 tp -81.05 147.01 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.7 145.28 50.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.604 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.7 mt-10 -96.94 154.93 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASN . 83.0 p -151.03 -177.81 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.3 m-20 -37.66 -40.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.2 mtt-85 -94.55 -61.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.6 HG23 HG22 ' A' ' 58' ' ' VAL . 22.6 m -58.44 137.73 57.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -143.66 113.02 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.604 HD12 ' CG ' ' A' ' 45' ' ' GLU . 49.0 mt -102.47 100.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.2 p -82.7 14.14 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 103.85 -61.7 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.9 pt-20 -115.46 -3.05 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -137.09 122.27 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 51' ' ' ILE . 75.2 t -104.3 140.2 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.658 ' CG ' HD11 ' A' ' 20' ' ' LEU . 30.5 tt0 -138.1 119.55 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.6 HG22 HG23 ' A' ' 49' ' ' THR . 6.9 t -120.86 111.36 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.9 mt-30 -75.21 150.01 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.1 t70 49.61 41.72 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 54.3 p -40.63 162.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.0 161.44 45.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.739 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 3.23 2.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.2 -26.76 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.13 -19.25 40.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 p -51.66 177.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.55 -152.67 23.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.9 tp -119.44 100.34 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.3 m-85 -80.83 137.17 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.72 120.22 19.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -102.33 125.12 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.442 HG22 HG23 ' A' ' 81' ' ' THR . 6.6 t -117.11 117.72 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 43.6 p -97.81 146.19 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m -103.42 100.19 10.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.5 p -116.55 151.65 47.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.37 8.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.6 p -112.31 -13.73 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.76 125.7 2.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 p -71.32 119.81 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -90.65 174.03 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.442 HG23 HG22 ' A' ' 72' ' ' VAL . 8.6 m -146.78 133.15 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -125.72 121.43 33.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.565 ' HB2' HG22 ' A' ' 10' ' ' VAL . 91.7 m-85 -92.88 154.66 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 19.5 m-85 -148.04 106.83 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -77.99 111.31 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.0 t -109.53 139.78 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -142.35 106.44 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.964 HG22 ' CG2' ' A' ' 15' ' ' VAL . 40.1 t -100.16 118.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -163.73 136.67 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -21.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.63 113.9 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 14' ' ' LEU . 6.0 mt -135.54 146.9 59.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.2 3.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.8 p -163.36 143.71 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.55 -169.86 45.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 165.87 29.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.405 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.4 p -84.28 124.82 31.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.812 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -59.2 103.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -149.91 143.85 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -68.22 120.99 15.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.7 -177.56 41.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -109.14 -52.45 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -144.34 146.68 32.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.9 127.98 9.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.56 159.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -109.54 113.98 27.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.68 91.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.99 113.79 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 150.41 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' SER . 39.0 m-85 -143.97 166.64 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -155.67 124.46 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.887 ' CG2' HG22 ' A' ' 88' ' ' VAL . 26.8 m -145.55 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.491 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.09 169.88 12.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.1 Cg_endo -69.79 94.86 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.37 -12.47 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.34 -175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 tp -109.82 109.79 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.8 tp -82.52 104.87 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.88 128.03 56.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -124.08 167.05 14.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 23.7 ttt180 -146.08 143.35 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.3 129.25 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -68.35 112.29 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 54' ' ' GLU . 29.2 mt -100.38 170.53 8.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -124.46 178.79 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -3.9 58.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' VAL . 7.2 m-20 -111.15 -30.63 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.8 t -33.9 140.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -116.25 -35.93 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.82 178.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' CG2' ' SG ' ' A' ' 71' ' ' CYS . 9.6 mt -141.58 141.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -127.07 102.11 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 64.3 m95 -77.62 138.7 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 42' ' ' GLN . 14.5 mt -135.22 159.19 42.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.529 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 22.9 ttp85 -150.36 116.12 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 62.94 24.99 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 47.71 5.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.17 146.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.545 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.6 tp-100 -54.61 128.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.1 tp -78.71 158.64 28.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.28 150.32 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.0 mt-10 -98.55 154.61 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ASN . 1.6 m -156.6 177.36 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' SER . 8.8 t-20 -35.58 -35.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.2 mtm-85 -97.27 -61.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.674 HG23 HG22 ' A' ' 58' ' ' VAL . 6.4 m -64.8 138.09 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLU . 15.1 tpt85 -141.68 110.1 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 56' ' ' VAL . 36.8 mt -102.32 102.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -86.58 17.56 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 108.3 -66.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.4 pt-20 -116.85 4.88 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -138.58 123.91 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 51' ' ' ILE . 79.8 t -106.67 135.54 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' ARG . 29.1 tt0 -134.31 118.14 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG22 HG23 ' A' ' 49' ' ' THR . 11.5 t -118.8 112.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -77.5 140.51 39.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.2 t70 59.6 41.12 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 58.2 p -39.21 160.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 161.54 46.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.49 -26.41 12.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -83.31 -24.47 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.6 p -49.95 168.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.59 -158.86 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.37 94.82 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 38.0 m-85 -76.0 136.39 39.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.24 117.77 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -99.7 130.32 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -118.21 116.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.437 HG21 ' CD2' ' A' ' 27' ' ' LEU . 40.5 p -100.59 131.58 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.59 118.86 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.0 p -123.53 155.16 66.24 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.705 0.764 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.67 7.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 m -118.06 -11.05 10.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.19 -146.82 12.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 p -157.51 145.55 19.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -123.74 165.21 17.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.1 m -144.9 128.77 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.1 m -121.67 120.44 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.03 160.96 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.1 m-85 -153.76 106.46 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.1 t -79.33 105.76 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.6 t -103.05 151.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.47 ' HB3' HD22 ' A' ' 14' ' ' LEU . 1.9 t30 -151.15 105.85 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.887 HG22 ' CG2' ' A' ' 15' ' ' VAL . 27.6 t -99.94 119.92 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -164.0 139.04 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -23.57 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.565 ' C ' HD12 ' A' ' 92' ' ' LEU . . . -83.28 129.96 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.565 HD12 ' C ' ' A' ' 91' ' ' ALA . 6.4 mp -135.51 147.84 63.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -14.3 36.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.1 p -120.9 108.15 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.51 -104.64 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.34 32.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -106.31 -47.91 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -98.96 120.46 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -61.23 115.97 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -84.37 150.52 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -143.93 161.51 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -149.93 126.32 10.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.937 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.0 m -147.89 -174.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.592 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -133.98 170.19 11.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.93 -6.65 4.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -89.51 -173.83 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.2 tp -110.75 107.78 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.7 tp -80.17 102.02 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -109.49 133.88 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.6 mt -128.62 163.46 25.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 12.7 ttm105 -139.56 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 t -112.82 124.47 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.9 mtp-105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 mt -143.94 142.13 24.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -125.0 112.3 16.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.536 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.2 m95 -87.12 131.56 34.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.2 mt -131.17 165.1 24.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.826 ' O ' HG12 ' A' ' 41' ' ' VAL . 28.3 ttp85 -153.59 115.34 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.05 25.2 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.42 43.13 6.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -159.86 148.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.325 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.05 126.76 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -79.19 151.74 31.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.01 157.94 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.544 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -102.75 161.86 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 t -159.9 -179.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -40.39 -35.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -98.72 -55.23 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG22 ' A' ' 58' ' ' VAL . 14.1 m -67.84 141.11 56.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.9 tpt180 -145.41 113.88 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.544 HD12 ' CG ' ' A' ' 45' ' ' GLU . 51.2 mt -101.68 103.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.4 p -88.51 20.3 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.457 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 102.46 -67.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.34 1.99 13.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -137.4 123.38 20.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 57.0 t -104.08 150.6 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.653 ' CG ' HD11 ' A' ' 20' ' ' LEU . 34.7 tt0 -147.98 120.06 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 49' ' ' THR . 8.7 t -122.23 105.39 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.45 143.82 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.0 t70 55.0 42.2 31.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 59.3 p -41.07 163.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.26 45.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.42 2.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.1 -17.07 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -91.58 -19.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.2 166.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.63 -159.14 28.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 tp -114.9 98.33 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 42.8 m-85 -78.86 142.2 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.72 117.09 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.6 p -99.98 125.63 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.71 119.24 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -99.43 128.46 45.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -148.27 137.14 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.4 m -130.06 119.75 23.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.17 156.29 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -148.24 108.64 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -83.82 102.33 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 87' ' ' ASN . 38.1 t -98.12 153.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 105.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.937 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.9 t -99.79 119.35 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -162.39 143.57 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 83' ' ' TYR . 40.0 t . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' SER . 9.2 tt0 -59.85 121.27 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.34 152.75 22.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.0 m-85 -147.66 156.26 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.0 tm? -144.94 127.99 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.996 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.8 m -148.19 -175.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -133.2 170.26 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.75 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.0 -12.22 4.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.68 -173.58 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD11 ' CG ' ' A' ' 57' ' ' GLU . 47.1 tp -112.03 109.69 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 tp -82.8 104.9 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -111.02 131.02 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.88 168.88 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -147.67 144.17 28.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.34 115.85 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.891 0.377 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 18.4 mt -140.82 141.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -124.18 106.94 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 62.7 m95 -83.1 135.38 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 42' ' ' GLN . 11.6 mt -136.07 161.05 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.674 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.8 ttp180 -149.22 113.37 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.3 25.59 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.38 41.92 7.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 38' ' ' ARG . 1.7 p -159.6 143.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -51.07 128.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.55 ' HG ' HD11 ' A' ' 51' ' ' ILE . 19.8 tp -79.55 147.47 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.34 154.32 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.5 mt-10 -100.91 155.27 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -151.03 -179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 47' ' ' ASN . 12.0 p-10 -42.66 -34.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -98.32 -55.51 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 HG22 ' A' ' 58' ' ' VAL . 28.0 m -65.83 139.07 58.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.4 tpt180 -143.9 108.76 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.55 HD11 ' HG ' ' A' ' 43' ' ' LEU . 48.3 mt -97.95 105.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -91.39 26.61 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 98.8 -68.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.3 pt-20 -118.71 8.59 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.35 117.4 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 51' ' ' ILE . 69.9 t -103.12 140.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.678 ' CG ' HD11 ' A' ' 20' ' ' LEU . 50.1 tt0 -138.71 118.02 12.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 HG23 ' A' ' 49' ' ' THR . 8.3 t -118.15 108.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -74.11 143.25 45.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.7 t70 54.65 42.59 31.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 51.4 p -41.05 163.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.36 45.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.26 2.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.55 -19.14 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -88.14 -24.34 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -44.82 170.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 -163.66 28.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.9 tp -110.32 97.61 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 13.6 m-85 -77.56 138.45 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.92 117.16 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -101.05 125.14 47.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 80' ' ' ASP . 10.5 t -115.24 116.23 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 p -99.18 128.11 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.864 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.417 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.2 t70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.415 HG23 HG22 ' A' ' 72' ' ' VAL . 6.2 m -155.56 133.81 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.499 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -127.54 119.19 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.662 ' HB2' HG22 ' A' ' 10' ' ' VAL . 71.1 m-85 -91.92 155.52 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.2 m-85 -147.66 106.11 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' PHE . 41.0 t -80.34 105.86 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.2 t -103.14 152.72 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.01 106.34 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.996 HG22 ' CG2' ' A' ' 15' ' ' VAL . 55.3 t -100.78 119.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -162.34 144.0 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.755 0.312 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 15.0 tt0 -59.39 113.35 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -83.97 146.25 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 11' ' ' GLU . 45.2 m-85 -140.67 167.26 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.8 tm? -156.22 128.07 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.951 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.9 m -149.23 -174.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.1 169.85 12.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.77 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.07 -11.41 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.76 -174.19 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.0 tp -111.27 107.72 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -80.6 107.62 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -113.42 131.52 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -125.72 169.27 12.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -147.07 142.5 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.28 115.34 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.3 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 33' ' ' SER . 9.4 mt -143.44 140.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -124.16 106.75 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 69.0 m95 -81.15 134.73 35.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 42' ' ' GLN . 10.1 mt -133.32 162.22 32.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.574 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 31.3 ttp180 -152.02 114.02 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 63.22 25.9 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.21 43.54 7.01 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -160.43 148.9 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.5 tp60 -58.47 125.94 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.42 153.54 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.69 159.17 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 3.5 mt-10 -103.33 162.17 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 t -160.02 -176.42 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -44.96 -37.49 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -96.02 -52.81 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 HG22 ' A' ' 58' ' ' VAL . 12.9 m -68.52 139.76 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.7 tpp180 -144.32 113.6 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 56' ' ' VAL . 57.3 mt -105.44 110.08 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -91.17 7.37 41.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.2 -57.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -122.3 -3.06 8.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -134.55 122.7 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 79.8 t -102.81 147.13 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.5 tt0 -144.43 118.55 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.552 HG22 HG23 ' A' ' 49' ' ' THR . 13.9 t -120.09 108.43 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -72.51 142.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.2 t70 53.42 44.79 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 38.4 p -41.97 165.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.26 161.13 43.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.723 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.88 -17.53 14.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -90.02 -22.2 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.77 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.86 -152.48 24.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.19 96.77 5.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.6 m-85 -77.57 141.6 39.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.52 115.15 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.8 p -96.64 127.48 42.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.42 117.4 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -98.56 140.6 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 m -151.83 133.06 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.6 m -126.75 119.29 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -91.43 157.73 16.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -149.41 108.98 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.68 106.33 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.4 t -102.11 151.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -151.19 105.07 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.951 HG22 ' CG2' ' A' ' 15' ' ' VAL . 54.7 t -100.02 119.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -161.88 143.7 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.74 108.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -80.05 149.43 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.4 m-85 -141.09 171.97 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.5 tm? -158.43 125.32 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.981 ' CG2' HG22 ' A' ' 88' ' ' VAL . 33.3 m -147.76 -175.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.489 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.33 169.85 12.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.71 93.36 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.97 -8.86 3.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -86.66 -174.43 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.558 HD11 ' CG ' ' A' ' 57' ' ' GLU . 41.8 tp -110.05 107.55 17.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -79.58 101.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -109.06 132.75 53.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -125.69 174.65 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -151.69 140.88 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.2 t -114.63 115.19 26.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.0 mt -139.96 140.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -125.54 105.01 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.499 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 70.2 m95 -78.98 137.37 37.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' GLN . 11.9 mt -135.21 162.08 33.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.817 ' O ' HG12 ' A' ' 41' ' ' VAL . 21.4 ttp85 -151.4 113.61 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.61 25.76 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.74 43.32 6.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.7 p -160.74 147.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -55.87 128.4 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 51' ' ' ILE . 37.3 tp -79.96 146.3 32.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.17 152.83 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -97.74 157.8 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -153.67 178.98 9.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -38.93 -35.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -100.31 -54.09 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 58' ' ' VAL . 7.1 m -65.74 138.61 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLU . 11.6 tpt180 -143.38 114.38 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 43' ' ' LEU . 49.5 mt -105.42 102.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.9 p -83.59 13.1 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 106.88 -61.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.19 -2.45 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -135.94 126.57 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 74.7 t -105.09 145.42 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.558 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.5 tt0 -144.09 118.97 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 49' ' ' THR . 9.9 t -121.34 111.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -74.74 144.19 43.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.9 t70 52.74 44.11 30.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.3 p -41.44 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -144.46 160.81 46.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.135 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.37 2.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.68 -18.48 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 67.0 m-20 -89.35 -20.22 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -50.61 176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.41 -156.41 26.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 83' ' ' TYR . 49.7 tp -117.58 95.35 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 51.2 m-85 -76.42 138.65 40.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.64 117.44 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.3 p -98.66 126.15 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -114.18 117.45 55.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -104.39 129.54 52.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.928 0.394 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -151.29 135.39 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.3 m -130.29 117.99 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' HB3' HD11 ' A' ' 68' ' ' LEU . 75.4 m-85 -89.62 159.18 17.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 82' ' ' THR . 16.7 m-85 -150.79 106.85 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.7 t -80.4 107.48 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.33 150.28 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -150.24 105.39 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.981 HG22 ' CG2' ' A' ' 15' ' ' VAL . 46.9 t -100.87 117.29 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -161.23 138.17 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.795 0.331 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.83 111.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -80.32 149.41 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' SER . 30.1 m-85 -144.93 161.58 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.775 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.3 tm? -151.92 128.48 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.967 ' CG2' HG22 ' A' ' 88' ' ' VAL . 27.7 m -148.91 -174.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.574 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.76 170.34 11.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.78 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.33 -8.08 4.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.87 -174.51 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.482 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.4 tp -110.56 107.12 16.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -80.73 105.33 11.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -112.58 137.0 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.67 173.47 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -149.38 145.81 27.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.7 t -118.06 124.82 49.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.807 0.337 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.4 mt -136.53 140.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -122.96 104.64 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.583 ' CD1' HG23 ' A' ' 51' ' ' ILE . 70.5 m95 -78.87 134.63 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 42' ' ' GLN . 12.6 mt -132.41 162.78 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG12 ' A' ' 41' ' ' VAL . 27.1 ttp85 -152.25 115.2 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.9 26.29 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.58 43.76 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 38' ' ' ARG . 1.4 p -162.69 144.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.537 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -50.6 129.75 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' A' ' 51' ' ' ILE . 50.3 tp -79.38 152.89 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.61 154.88 47.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.8 158.62 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.5 p -154.37 -179.73 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -43.72 -32.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.3 mtt-85 -100.4 -54.4 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.537 HG23 HG22 ' A' ' 58' ' ' VAL . 31.6 m -64.86 143.1 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -146.37 110.53 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 36' ' ' TRP . 51.0 mt -100.77 102.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.5 p -84.92 15.03 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 102.1 -59.03 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -119.23 2.13 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.02 125.39 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.505 HG23 ' CE2' ' A' ' 36' ' ' TRP . 76.5 t -107.21 136.03 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.482 ' CG ' HD11 ' A' ' 20' ' ' LEU . 29.3 tt0 -137.58 116.4 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 HG23 ' A' ' 49' ' ' THR . 11.4 t -118.58 117.72 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.5 mt-30 -79.12 153.51 30.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 46.0 41.54 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 75.2 p -38.51 158.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.3 161.84 48.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 1.52 4.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.388 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.18 -21.75 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.71 -21.87 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -52.11 173.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.67 -152.76 24.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.434 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.82 98.53 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.9 m-85 -78.75 147.51 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.68 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.7 p -94.93 126.28 40.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -114.49 117.24 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 p -100.18 131.72 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -147.79 127.71 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.8 m -120.85 118.66 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -91.0 159.52 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 82' ' ' THR . 10.0 m-85 -151.22 106.51 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.3 t -80.14 103.44 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.86 146.58 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -146.96 106.61 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.967 HG22 ' CG2' ' A' ' 15' ' ' VAL . 35.3 t -101.12 119.4 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -163.29 138.03 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -60.65 119.28 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -88.13 148.76 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 41.3 m-85 -141.89 169.15 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.5 tm? -157.88 129.92 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.987 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.6 m -151.27 -175.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.79 170.16 12.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.7 96.0 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.48 -10.26 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -84.2 -173.78 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD11 ' CG ' ' A' ' 57' ' ' GLU . 50.8 tp -111.7 106.2 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.97 108.5 12.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -115.01 126.39 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.34 160.69 26.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 13.5 ttp85 -136.79 135.63 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.1 t -97.28 145.71 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.2 mt -141.79 143.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.0 t30 -131.4 103.28 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 77.5 m95 -75.95 141.75 42.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.4 mt -142.13 159.77 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.818 ' O ' HG12 ' A' ' 41' ' ' VAL . 45.2 ttp180 -148.15 117.77 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.05 25.02 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 48.19 5.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.818 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.6 p -166.22 148.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.52 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.8 tp60 -55.74 128.33 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HG ' HD11 ' A' ' 51' ' ' ILE . 32.3 tp -77.54 148.9 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.37 148.31 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -98.73 159.96 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ARG . 88.7 p -159.96 174.86 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' SER . 15.2 m-20 -35.37 -34.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 83.5 mtm-85 -96.36 -61.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 58' ' ' VAL . 21.8 m -64.03 141.29 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.4 tpt180 -144.3 108.21 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.519 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 49.1 mt -99.75 103.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -87.94 21.38 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 101.39 -67.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -115.18 11.13 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -146.49 129.3 16.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 90.7 t -111.67 139.9 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.563 ' CG ' HD11 ' A' ' 20' ' ' LEU . 55.8 tt0 -139.14 117.46 11.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.563 HG22 HG23 ' A' ' 49' ' ' THR . 6.0 t -118.85 110.52 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' HD13 ' A' ' 20' ' ' LEU . 69.1 mt-30 -75.92 140.69 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.4 t70 58.28 43.53 20.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.4 p -41.23 163.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.54 161.01 45.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 3.58 2.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.29 -26.88 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.94 -28.41 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -46.64 172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.77 -149.57 21.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.5 97.37 5.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.4 145.42 35.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.19 115.94 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.7 p -98.0 126.66 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ASN . 5.2 t -114.24 117.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 p -102.87 130.9 50.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.0 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -160.46 129.17 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -123.69 116.02 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -88.28 158.66 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' A' ' 82' ' ' THR . 27.5 m-85 -151.15 106.44 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' PHE . 6.6 t -78.64 109.57 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.43 151.58 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.64 105.12 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.987 HG22 ' CG2' ' A' ' 15' ' ' VAL . 51.2 t -100.52 117.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.4 t -159.78 143.4 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.781 0.324 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.21 114.36 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -81.78 150.11 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 47.4 m-85 -142.95 169.56 17.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.63 HD13 ' N ' ' A' ' 15' ' ' VAL . 3.4 tm? -158.26 132.98 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.962 ' CG2' HG22 ' A' ' 88' ' ' VAL . 30.6 m -155.93 -174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.13 170.18 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.2 Cg_endo -69.71 96.78 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.68 -15.53 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.35 -174.54 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.936 HD11 ' CG ' ' A' ' 57' ' ' GLU . 59.3 tp -110.39 114.68 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -85.47 105.47 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.488 HE21 HD23 ' A' ' 20' ' ' LEU . 32.7 mt-30 -109.18 138.9 44.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -135.05 162.54 32.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.6 ttm180 -138.57 140.42 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -112.84 125.5 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 27.7 mt -138.25 142.97 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.511 ' ND2' HE22 ' A' ' 42' ' ' GLN . 2.9 t30 -124.38 108.61 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.6 m95 -82.74 130.37 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.3 mt -128.54 166.64 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.714 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.1 ttp85 -155.34 115.3 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 63.35 25.34 14.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.92 43.45 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.7 p -161.59 152.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.511 HE22 ' ND2' ' A' ' 35' ' ' ASN . 2.1 tp60 -57.23 133.32 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 38' ' ' ARG . 31.3 tp -88.24 147.61 24.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.08 153.77 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.589 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -97.76 165.5 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' ARG . 1.2 t -161.28 174.54 13.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.3 m120 -36.11 -31.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' SER . 82.4 mtm180 -100.86 -59.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG22 ' A' ' 58' ' ' VAL . 17.8 m -62.79 136.81 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -139.14 109.32 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.4 mt -100.31 102.69 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -86.4 12.84 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 109.5 -63.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt-20 -119.69 4.05 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -139.25 118.88 13.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 74.9 t -98.4 148.53 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.936 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.6 tt0 -148.17 109.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 49' ' ' THR . 15.9 t -112.96 110.63 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -74.94 145.34 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.8 t70 54.37 41.31 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.8 p -40.16 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.67 161.22 44.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.096 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.8 -18.57 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 59.8 m-20 -90.33 -23.19 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -47.92 174.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.98 -156.17 26.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 tp -116.71 99.87 7.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.585 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.1 m-85 -81.17 145.55 30.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.59 116.76 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.2 p -97.67 126.86 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.29 119.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 p -102.65 129.63 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.851 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.9 m -150.8 134.21 16.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.4 m -127.16 119.99 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.405 ' C ' ' CG ' ' A' ' 84' ' ' PHE . 3.0 m-85 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 82' ' ' THR . 16.8 m-85 -156.7 107.27 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.5 t -83.65 104.88 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.39 151.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.15 105.06 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.962 HG22 ' CG2' ' A' ' 15' ' ' VAL . 25.9 t -100.98 118.24 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 140.6 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.44 113.37 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -83.0 147.68 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -143.67 160.88 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.774 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -150.8 124.12 8.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.919 ' CG2' HG22 ' A' ' 88' ' ' VAL . 34.3 m -144.85 -175.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.6 169.27 14.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 90.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -9.27 2.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.21 -174.79 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.534 HD11 ' CG ' ' A' ' 57' ' ' GLU . 30.1 tp -109.83 107.37 17.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.8 tp -78.54 102.27 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.424 HE21 HD21 ' A' ' 20' ' ' LEU . 46.3 mt-30 -107.6 133.24 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.5 mt -129.18 166.88 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 26.7 ttp180 -142.98 142.87 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' GLU . 54.0 t -115.5 124.5 51.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.5 mt -138.55 149.09 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.9 t30 -132.22 101.84 5.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.641 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.4 m95 -78.62 133.35 37.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.8 mt -133.68 161.36 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.826 ' O ' HG12 ' A' ' 41' ' ' VAL . 37.6 ttp180 -151.99 116.41 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.61 25.46 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.44 7.33 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 38' ' ' ARG . 9.8 p -163.15 152.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.3 tp60 -56.78 136.08 55.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HG ' HD11 ' A' ' 51' ' ' ILE . 49.0 tp -87.35 152.13 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.01 148.66 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.61 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -99.61 158.43 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -158.78 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -39.82 -35.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -97.33 -61.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.619 HG23 HG22 ' A' ' 58' ' ' VAL . 15.9 m -65.72 137.4 57.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.4 tpt180 -141.37 111.04 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.61 HD12 ' CG ' ' A' ' 45' ' ' GLU . 53.5 mt -97.38 99.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -82.86 17.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 102.21 -70.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' CYS . 3.8 pt-20 -106.97 -7.78 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -130.94 139.68 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.641 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 85.3 t -117.24 141.93 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.534 ' CG ' HD11 ' A' ' 20' ' ' LEU . 29.4 tt0 -139.43 119.18 13.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.619 HG22 HG23 ' A' ' 49' ' ' THR . 7.7 t -120.97 108.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -72.91 146.78 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.5 t70 51.29 42.37 28.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -41.02 163.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.38 161.43 44.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.612 0.72 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 1.49 4.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.62 -23.0 14.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.01 -20.85 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -50.08 174.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.8 -163.57 27.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.3 tp -109.98 98.54 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.5 m-85 -77.57 147.97 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.07 111.78 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -95.6 124.9 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 35' ' ' ASN . 38.5 t -115.26 122.42 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 p -101.92 129.21 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.461 HG23 HG22 ' A' ' 72' ' ' VAL . 6.6 m -149.38 124.29 9.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.1 m -120.45 121.84 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.57 157.95 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 82' ' ' THR . 10.4 m-85 -149.88 110.97 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 t -84.72 102.17 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -100.41 150.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.483 ' HB3' HD22 ' A' ' 14' ' ' LEU . 4.2 t30 -150.06 106.11 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.919 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.9 t -100.08 119.98 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -163.82 138.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 83' ' ' TYR . 96.0 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.781 0.324 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.43 119.56 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -89.28 146.29 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -140.28 167.51 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.921 ' CG2' HG22 ' A' ' 88' ' ' VAL . 31.5 m -143.23 -174.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.522 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.51 169.65 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.2 Cg_endo -69.78 99.0 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.7 -8.6 6.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -86.0 -174.1 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.595 HD11 ' HG2' ' A' ' 57' ' ' GLU . 46.9 tp -111.26 106.66 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.74 109.58 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.4 134.57 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -127.5 173.89 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.6 ttm105 -152.76 139.97 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.52 116.78 27.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 mt -139.87 142.43 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -126.14 106.88 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.521 ' CD1' HG23 ' A' ' 51' ' ' ILE . 68.4 m95 -80.74 134.47 35.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -132.36 157.33 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.559 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 29.7 ttp180 -146.71 114.27 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.04 25.55 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.29 50.56 4.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -170.22 148.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 111.14 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 129.25 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 51' ' ' ILE . 36.8 tp -78.77 157.48 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.82 153.08 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.041 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.39 160.58 14.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.17 -178.14 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.07 -23.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -108.74 -58.3 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.53 HG23 HG22 ' A' ' 58' ' ' VAL . 33.6 m -65.34 136.05 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.1 tpt180 -137.91 110.12 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.6 mt -99.84 103.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -89.24 19.7 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.41 -67.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -116.18 -1.74 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -132.37 119.86 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 82.1 t -102.47 140.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' A' ' 20' ' ' LEU . 37.8 tt0 -139.16 115.22 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.53 HG22 HG23 ' A' ' 49' ' ' THR . 11.3 t -117.3 113.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HG2' HD13 ' A' ' 20' ' ' LEU . 76.3 mt-30 -78.4 146.54 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t70 54.34 39.6 31.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 54.0 p -39.05 159.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.85 161.79 44.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -19.4 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.8 -25.55 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -45.42 169.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.13 -164.23 28.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.77 95.31 5.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.559 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.7 m-85 -77.86 137.57 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.65 121.46 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.7 p -101.97 125.11 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 81' ' ' THR . 19.5 t -114.9 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 p -100.99 128.47 47.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.851 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.451 HG23 HG22 ' A' ' 72' ' ' VAL . 4.1 m -158.49 129.87 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -124.59 118.11 25.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.556 ' HB2' HG22 ' A' ' 10' ' ' VAL . 97.0 m-85 -89.64 155.6 19.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -147.58 108.14 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -79.95 107.25 12.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.53 146.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.434 ' HB3' HD22 ' A' ' 14' ' ' LEU . 3.0 t30 -146.51 105.66 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.921 HG22 ' CG2' ' A' ' 15' ' ' VAL . 50.5 t -99.95 120.7 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -164.55 145.04 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.36 116.04 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -86.0 146.2 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.8 m-85 -142.47 159.96 41.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.9 tm? -149.88 128.73 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.993 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.0 m -149.13 -174.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.573 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.32 170.49 11.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.8 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.03 -7.85 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -85.97 -175.38 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 tp -109.95 108.5 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.48 109.87 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -118.33 125.35 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.84 175.2 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 21.6 ttt-85 -150.54 142.69 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.5 t -118.59 122.36 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 16.7 ptt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.1 mt -140.51 142.14 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -123.95 110.77 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.587 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.7 m95 -85.25 133.2 34.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.3 mt -132.8 164.48 26.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.725 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.2 ttp180 -152.74 116.47 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.3 27.3 16.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.15 7.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.5 p -163.14 146.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.313 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.513 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -52.57 133.45 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 51' ' ' ILE . 36.7 tp -86.62 148.86 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.35 151.98 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.047 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.8 mt-10 -98.29 154.36 17.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ARG . 99.2 p -151.51 173.92 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 29.2 t-20 -34.45 -32.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' SER . 68.1 mtm-85 -99.82 -60.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.615 HG23 HG22 ' A' ' 58' ' ' VAL . 24.8 m -63.46 143.59 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.4 tpt180 -146.56 119.51 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.1 mt -107.82 103.7 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -87.87 12.98 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.88 -67.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.57 1.11 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -136.41 123.87 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 97.4 t -103.53 143.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' ARG . 51.2 tt0 -142.39 118.06 10.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.615 HG22 HG23 ' A' ' 49' ' ' THR . 10.7 t -121.98 116.04 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -78.98 147.58 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.5 t70 50.12 43.66 25.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 65.5 p -39.78 161.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.58 161.48 49.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -24.19 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -84.95 -22.37 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -50.43 177.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.67 -157.81 24.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.8 tp -113.94 101.29 9.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 17.7 m-85 -81.81 144.44 31.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.8 118.38 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.4 p -100.92 125.57 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.2 119.91 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.9 p -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.903 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.92 0.391 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -151.41 138.89 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.476 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.2 m -131.38 121.47 24.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -93.43 156.2 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 12.4 m-85 -148.58 107.35 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t -79.38 109.32 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.63 148.23 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -148.3 105.01 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.993 HG22 ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -101.0 115.68 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -158.27 142.55 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.45 113.76 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.54 147.8 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' SER . 37.8 m-85 -142.46 161.35 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -150.94 127.89 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.942 ' CG2' HG22 ' A' ' 88' ' ' VAL . 32.3 m -149.43 -175.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.558 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.92 169.72 12.99 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.8 -12.92 4.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.56 -174.06 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.1 tp -111.24 106.35 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.3 tp -78.85 108.48 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -114.93 135.41 54.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -131.85 172.31 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttp-105 -152.48 142.76 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.83 126.71 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.887 0.375 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.3 mt -140.24 140.39 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 t30 -127.81 102.92 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.502 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 69.7 m95 -79.11 137.89 37.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' GLN . 10.2 mt -136.22 163.82 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.832 ' O ' HG12 ' A' ' 41' ' ' VAL . 31.8 ttp85 -152.43 115.27 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.39 26.4 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.66 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.832 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -162.82 147.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -55.27 128.18 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 38' ' ' ARG . 31.3 tp -81.87 148.27 28.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.56 166.53 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -108.45 162.55 14.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 t -159.55 175.3 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -39.46 -31.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -99.28 -55.87 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.4 m -68.9 139.01 55.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.9 tpt180 -141.67 109.2 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 53' ' ' GLY . 57.9 mt -100.68 105.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -86.15 17.28 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 105.87 -63.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.28 5.91 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.39 122.49 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 72.9 t -102.52 134.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' ARG . 30.9 tt0 -136.01 116.56 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -118.59 118.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -80.15 141.42 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.7 t70 55.0 45.01 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.5 p -40.44 162.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.55 161.59 43.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.152 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 -24.23 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 73.9 m-20 -85.1 -23.23 28.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -49.84 176.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.19 -154.73 25.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 tp -116.88 95.45 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.3 m-85 -75.79 139.45 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.92 116.79 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -99.84 126.61 45.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 81' ' ' THR . 17.2 t -117.42 118.82 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -104.66 133.17 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 HG22 ' A' ' 72' ' ' VAL . 6.2 m -152.19 129.27 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.3 m -123.15 120.12 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -92.23 156.9 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 82' ' ' THR . 13.9 m-85 -150.2 106.13 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -79.61 108.41 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.87 141.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.58 ' HB3' HD22 ' A' ' 14' ' ' LEU . 10.9 t30 -140.25 105.25 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.942 HG22 ' CG2' ' A' ' 15' ' ' VAL . 38.2 t -100.14 115.94 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -160.31 139.77 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.6 113.04 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 t -82.9 150.08 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.3 m-85 -141.32 174.08 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -162.68 124.04 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.01 ' CG2' HG22 ' A' ' 88' ' ' VAL . 33.2 m -146.68 -174.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.502 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -134.03 170.36 11.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 94.8 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.51 -6.89 4.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.87 -174.11 4.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.669 HD11 ' CG ' ' A' ' 57' ' ' GLU . 45.1 tp -111.05 107.61 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -80.12 102.74 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -108.69 128.54 54.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.36 164.6 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 44.9 ttt180 -141.55 144.67 34.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.1 t -120.35 116.06 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 mt -139.61 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.5 t30 -130.18 101.86 5.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 65.0 m95 -78.11 137.53 38.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.0 mt -135.39 160.66 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.785 ' O ' HG12 ' A' ' 41' ' ' VAL . 30.7 ttp180 -151.15 115.0 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.24 25.87 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.52 44.63 7.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 38' ' ' ARG . 7.4 p -163.59 153.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -58.34 133.29 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.43 155.87 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.49 152.49 51.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.7 mt-10 -99.82 157.78 16.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -157.18 -178.16 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -42.79 -35.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -96.51 -56.53 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 58' ' ' VAL . 16.7 m -67.42 135.41 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.8 tpt180 -140.56 106.23 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 36.1 mt -95.66 105.61 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.1 p -93.14 30.35 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.445 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 97.54 -69.73 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -118.8 6.61 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -137.55 117.45 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 51' ' ' ILE . 69.4 t -103.16 141.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.669 ' CG ' HD11 ' A' ' 20' ' ' LEU . 28.5 tt0 -138.86 117.21 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 49' ' ' THR . 10.0 t -117.39 108.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.402 ' HG2' HD13 ' A' ' 20' ' ' LEU . 62.8 mt-30 -74.4 142.05 45.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.9 t0 56.38 42.72 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 51.8 p -41.59 164.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.28 161.17 45.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.32 2.86 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.677 2.252 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.99 -21.17 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.31 -21.1 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -47.91 174.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.54 -163.7 27.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.0 tp -110.24 95.26 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.474 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.0 m-85 -74.86 137.51 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.11 117.16 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -99.11 125.59 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 35' ' ' ASN . 13.0 t -113.98 119.08 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.4 p -105.09 132.45 51.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -146.72 129.87 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.5 m -122.81 121.27 35.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.12 155.46 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.476 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 14.0 m-85 -148.33 109.5 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.4 t -81.69 107.44 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.9 t -105.03 148.56 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.67 108.41 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.01 HG22 ' CG2' ' A' ' 15' ' ' VAL . 47.0 t -102.09 118.76 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -156.39 140.55 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.484 ' HB3' ' CG ' ' A' ' 17' ' ' PRO . 9.9 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.796 0.331 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.79 113.34 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -83.97 150.82 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.5 m-85 -143.61 167.0 23.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.5 tm? -156.65 127.25 6.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.914 ' CG2' HG22 ' A' ' 88' ' ' VAL . 24.8 m -149.11 -175.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.48 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -130.63 169.58 13.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.627 0.727 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.71 91.69 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.58 -7.04 3.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.42 -175.5 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 57' ' ' GLU . 47.8 tp -108.97 108.67 19.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.02 108.14 13.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.51 174.76 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 14.1 ttp-105 -150.63 142.99 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -116.21 125.77 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mtp85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 mt -139.02 146.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.4 t30 -128.84 108.78 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.9 m95 -83.89 132.68 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.5 mt -132.28 161.96 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.796 ' O ' HG12 ' A' ' 41' ' ' VAL . 39.5 ttp180 -151.2 117.45 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.77 25.81 15.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 47.47 5.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.2 p -166.19 147.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.544 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -53.06 132.43 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD11 ' A' ' 51' ' ' ILE . 26.3 tp -84.26 148.59 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.48 149.76 49.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.553 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -99.63 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.8 p -161.85 -179.75 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -39.76 -33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -98.12 -60.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 58' ' ' VAL . 22.3 m -66.74 138.25 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tpt180 -141.28 111.01 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.621 HG23 ' CD1' ' A' ' 36' ' ' TRP . 57.3 mt -98.58 101.85 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.3 p -85.34 16.33 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.33 -64.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.08 -0.0 11.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -135.77 120.11 17.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.584 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 76.1 t -99.08 138.81 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.106 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' CG ' HD11 ' A' ' 20' ' ' LEU . 42.2 tt0 -137.49 116.24 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 49' ' ' THR . 8.9 t -120.9 115.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -80.26 147.91 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 1.7 t70 53.44 38.24 27.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 73.8 p -37.83 157.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -141.03 162.17 49.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.53 2.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.63 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 62' ' ' VAL . 27.9 m-20 -83.53 -24.08 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -49.17 172.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 -156.15 26.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.8 tp -114.18 98.75 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 28.1 m-85 -79.07 142.09 36.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.64 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.76 126.69 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' ASN . 12.1 t -117.98 122.56 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.9 p -104.18 134.57 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.7 m -150.55 131.55 14.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.9 m -124.96 123.63 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -94.04 159.43 15.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 11.9 m-85 -151.37 109.13 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.7 t -82.48 108.29 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.6 t -106.14 149.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -148.27 105.04 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.914 HG22 ' CG2' ' A' ' 15' ' ' VAL . 39.9 t -99.67 119.62 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -163.87 143.85 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.71 107.47 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -77.59 144.65 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -137.55 171.92 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.4 tm? -160.0 128.51 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.97 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.5 m -149.92 -175.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.53 170.01 12.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.3 Cg_endo -69.74 95.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.2 -7.53 5.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.28 -175.25 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 57' ' ' GLU . 35.3 tp -109.45 109.15 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 tp -83.76 104.05 13.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -111.22 129.25 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.67 169.67 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -147.39 138.37 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.7 t -111.6 116.78 31.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 33' ' ' SER . 9.6 mt -144.09 142.49 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -127.23 111.52 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 67.4 m95 -87.96 134.9 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -135.26 160.57 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.785 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.2 ttp85 -150.88 115.29 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.07 25.17 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 47.75 5.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -166.35 147.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.38 125.86 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 51' ' ' ILE . 37.7 tp -75.14 150.08 38.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.98 152.78 48.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -100.25 157.04 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -154.34 -179.96 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -39.47 -35.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -98.22 -59.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.592 HG23 HG22 ' A' ' 58' ' ' VAL . 22.1 m -65.48 135.46 55.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.0 tpt180 -140.17 107.77 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.557 HG12 HG22 ' A' ' 56' ' ' VAL . 42.4 mt -96.47 102.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.4 p -85.08 15.48 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 107.79 -65.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -113.52 -3.6 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -132.2 130.41 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 51' ' ' ILE . 69.3 t -112.85 126.26 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 20' ' ' LEU . 43.3 tt0 -125.82 118.56 25.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.592 HG22 HG23 ' A' ' 49' ' ' THR . 10.5 t -118.15 114.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -79.84 141.4 36.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 t0 58.53 40.25 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -38.81 159.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.21 161.54 50.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.63 2.67 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.59 -24.57 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -83.13 -22.52 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.9 p -51.45 173.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.48 -145.09 13.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD11 ' HD2' ' A' ' 83' ' ' TYR . 2.5 tm? -125.03 100.83 6.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.2 m-85 -82.72 141.01 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.5 111.67 7.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.6 p -96.52 127.43 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 80' ' ' ASP . 17.4 t -118.48 119.2 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 p -102.52 130.21 49.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.847 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.7 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.466 HG23 HG22 ' A' ' 72' ' ' VAL . 14.7 m -156.03 134.2 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.2 m -127.76 122.93 34.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.769 ' HD2' HD11 ' A' ' 68' ' ' LEU . 93.9 m-85 -93.48 160.73 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.7 m-85 -154.06 106.0 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -78.63 106.85 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.7 t -102.63 141.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -143.27 105.47 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.97 HG22 ' CG2' ' A' ' 15' ' ' VAL . 40.0 t -100.76 118.94 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -162.51 139.02 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 83' ' ' TYR . 94.4 t . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.797 0.332 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.23 115.58 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -83.36 147.75 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -142.03 167.11 22.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.8 tm? -155.17 126.25 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.903 ' CG2' HG22 ' A' ' 88' ' ' VAL . 26.8 m -147.61 -174.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.27 170.19 11.97 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.6 Cg_endo -69.73 92.23 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.28 -9.57 3.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.97 -174.54 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 57' ' ' GLU . 35.9 tp -110.1 108.22 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.5 tp -81.03 101.98 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -109.22 134.22 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.74 172.19 11.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -150.12 140.35 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -113.35 121.11 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 20.8 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 mt -138.23 142.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.3 t30 -128.76 102.85 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CD1' HG23 ' A' ' 51' ' ' ILE . 69.3 m95 -77.46 135.61 38.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mt -132.2 164.5 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.828 ' O ' HG12 ' A' ' 41' ' ' VAL . 16.7 ttp85 -153.14 114.12 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.35 25.6 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.13 45.58 5.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.1 p -164.08 150.45 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.411 HE22 ' ND2' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.93 128.64 36.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' HG ' HD11 ' A' ' 51' ' ' ILE . 24.2 tp -81.76 148.12 29.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.33 160.09 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -108.89 161.61 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 p -159.6 -177.51 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -40.52 -35.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -97.82 -59.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 HG22 ' A' ' 58' ' ' VAL . 25.3 m -67.32 142.93 56.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.6 tpt180 -147.51 118.8 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.563 HG23 ' CD1' ' A' ' 36' ' ' TRP . 42.9 mt -105.95 102.96 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.0 p -83.56 11.6 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.45 -61.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -114.98 -2.38 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -137.81 132.46 32.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.506 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 75.8 t -110.93 140.85 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 20' ' ' LEU . 32.7 tt0 -139.48 119.73 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.604 HG22 HG23 ' A' ' 49' ' ' THR . 8.6 t -121.66 112.21 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -75.85 143.72 41.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.3 t70 53.5 43.92 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.1 p -41.11 163.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.2 161.16 46.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.159 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.45 -25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 75.2 m-20 -83.76 -24.14 31.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.6 p -47.76 174.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.04 -155.64 26.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.0 tp -116.67 94.5 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 44.9 m-85 -76.35 137.86 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.74 116.78 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.6 p -97.31 125.03 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.1 t -114.85 119.15 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -105.85 135.03 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.431 ' OD2' ' NH2' ' A' ' 26' ' ' ARG . 2.1 t70 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -151.66 133.97 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.2 m -128.84 116.77 19.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 10' ' ' VAL . 82.8 m-85 -89.55 158.04 17.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.5 m-85 -149.84 106.13 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 t -79.7 104.56 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.23 145.52 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.72 105.03 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.903 HG22 ' CG2' ' A' ' 15' ' ' VAL . 25.1 t -99.62 117.59 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -159.93 141.6 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.6 117.47 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -85.22 146.71 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.35 156.79 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -147.05 128.21 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.811 ' N ' HD13 ' A' ' 14' ' ' LEU . 29.8 m -148.42 -175.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.59 169.58 13.25 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.69 91.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.51 -12.59 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.64 -176.16 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 57' ' ' GLU . 43.6 tp -108.74 109.32 20.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.46 107.28 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -113.72 136.12 53.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -131.27 170.54 14.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -148.59 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -116.03 131.63 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 8.0 mtm105 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.838 0.352 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -139.4 142.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.474 ' ND2' HE22 ' A' ' 42' ' ' GLN . 2.3 t30 -125.49 106.03 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CD1' HG23 ' A' ' 51' ' ' ILE . 62.9 m95 -81.18 131.77 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 41' ' ' VAL . 9.3 mt -129.51 164.26 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.794 ' O ' HG12 ' A' ' 41' ' ' VAL . 40.7 ttp180 -152.73 116.22 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.58 25.76 15.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.37 48.89 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -168.13 153.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.474 HE22 ' ND2' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -58.8 128.73 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.561 ' HG ' HD11 ' A' ' 51' ' ' ILE . 29.8 tp -79.75 153.93 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.68 151.0 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.85 159.46 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -157.63 178.94 9.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -37.76 -35.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -96.78 -59.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.613 HG23 HG22 ' A' ' 58' ' ' VAL . 11.7 m -63.58 140.68 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.197 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.6 tpt180 -144.16 110.47 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.599 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.5 mt -101.8 103.42 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -87.43 14.26 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.86 -61.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -120.33 -4.35 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -131.56 118.34 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 89.0 t -99.7 144.4 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ARG . 53.9 tt0 -142.66 117.37 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.613 HG22 HG23 ' A' ' 49' ' ' THR . 5.7 t -119.53 110.07 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -75.72 139.81 42.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.1 t70 58.17 43.73 20.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.3 p -40.27 162.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.55 160.9 46.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.53 -18.33 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.07 -14.98 32.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 m -52.04 173.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.52 -167.65 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.7 tp -107.74 98.08 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.5 m-85 -78.69 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.91 120.14 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p -100.19 125.2 46.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.2 t -115.23 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -102.64 130.35 49.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -150.95 122.26 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.473 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -116.48 120.02 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -92.05 159.43 15.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 82' ' ' THR . 15.1 m-85 -152.56 107.38 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -82.28 104.3 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.3 t -99.87 149.42 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.553 ' HB3' HD22 ' A' ' 14' ' ' LEU . 12.6 t30 -149.17 105.14 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 15' ' ' VAL . 22.0 t -99.49 120.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -161.76 141.3 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.748 0.309 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.03 116.48 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -85.56 145.21 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -139.56 164.51 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -153.18 125.56 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.935 ' CG2' HG22 ' A' ' 88' ' ' VAL . 34.5 m -147.76 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.8 170.23 11.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.848 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.78 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -12.37 3.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.4 -174.41 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.8 tp -110.87 106.38 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 tp -78.95 103.61 9.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -111.17 131.57 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -126.46 167.67 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 14.0 ttp-105 -148.11 139.91 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.3 t -109.07 129.27 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 mt -140.52 143.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' VAL . 24.7 t30 -129.73 104.64 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.469 ' CE2' HG23 ' A' ' 56' ' ' VAL . 73.7 m95 -80.1 140.97 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.0 mt -140.4 166.03 25.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.863 ' O ' HG12 ' A' ' 41' ' ' VAL . 8.1 ttp-105 -154.15 118.13 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 59.11 25.4 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.71 43.62 6.76 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.2 p -159.68 150.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.486 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -57.1 126.62 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' A' ' 51' ' ' ILE . 57.7 tp -76.28 148.81 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.38 156.41 44.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CG ' HD12 ' A' ' 51' ' ' ILE . 1.9 mt-10 -103.98 164.57 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -160.32 -176.61 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.76 -31.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -102.04 -56.95 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 HG22 ' A' ' 58' ' ' VAL . 28.6 m -67.47 140.08 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -145.4 114.88 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 56' ' ' VAL . 40.0 mt -102.74 109.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -91.07 15.49 11.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.521 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 104.98 -62.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -117.57 3.05 12.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -141.22 125.75 17.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 51' ' ' ILE . 76.4 t -109.76 134.5 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' CG ' HD11 ' A' ' 20' ' ' LEU . 28.2 tt0 -133.37 118.7 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.603 HG22 HG23 ' A' ' 49' ' ' THR . 7.7 t -118.76 114.02 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.19 147.3 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.0 t70 48.09 46.65 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 57.9 p -42.4 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -145.68 161.29 41.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 111.137 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.55 2.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 -25.76 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 66.2 m-20 -83.3 -23.01 32.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.1 p -50.89 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.27 -156.09 25.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.95 93.21 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -74.08 147.48 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.69 117.2 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.1 p -100.11 126.0 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' ASN . 4.8 t -116.68 120.36 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -104.99 136.29 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.823 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -145.47 136.55 24.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -128.46 117.62 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -90.06 158.61 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.0 m-85 -150.7 107.74 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.94 98.87 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -95.62 146.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -145.97 104.98 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.935 HG22 ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -99.86 117.49 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -160.35 142.07 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 83' ' ' TYR . 53.0 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.776 0.322 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.71 115.49 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -84.84 149.51 25.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.9 m-85 -141.89 168.48 19.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.9 tm? -155.73 128.02 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.987 ' CG2' HG22 ' A' ' 88' ' ' VAL . 28.4 m -150.48 -175.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.557 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.9 170.17 11.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.76 98.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.95 -9.73 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.41 -174.02 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.9 tp -110.0 110.27 21.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.09 108.75 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.419 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 10.0 mt-30 -114.21 131.62 56.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -125.0 164.23 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.483 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.2 ttp85 -142.12 137.78 31.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.1 t -113.43 121.13 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 14.8 ptt180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.906 0.384 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.89 139.4 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -124.92 108.76 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.481 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 67.7 m95 -83.42 139.15 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.1 mt -137.43 164.91 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.775 ' O ' HG12 ' A' ' 41' ' ' VAL . 39.7 ttp180 -152.92 116.31 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 60.38 26.12 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.09 43.62 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.775 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.9 p -160.4 146.45 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.511 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -54.72 128.96 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HG ' HD11 ' A' ' 51' ' ' ILE . 25.3 tp -80.65 148.19 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.17 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.598 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -95.11 156.72 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -152.07 177.06 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -40.8 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -101.34 -57.37 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.513 HG23 HG22 ' A' ' 58' ' ' VAL . 45.6 m -67.57 141.19 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.8 tpt180 -143.74 114.35 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.598 HD12 ' CG ' ' A' ' 45' ' ' GLU . 48.9 mt -100.61 106.68 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.6 p -90.52 14.94 11.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 110.43 -69.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.46 1.12 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -133.94 127.3 32.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 77.0 t -109.03 130.2 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ARG . 41.1 tt0 -127.99 120.45 27.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.513 HG22 HG23 ' A' ' 49' ' ' THR . 6.9 t -121.1 115.22 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -77.49 147.11 36.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 50.0 44.32 25.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.1 p -40.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.35 161.52 41.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.675 0.75 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.53 4.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.397 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.0 -16.46 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.85 -25.23 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -47.52 175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.26 -149.91 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.8 100.03 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -82.0 137.96 35.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.45 117.92 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 p -98.94 126.63 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -115.58 116.41 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.1 p -103.0 129.7 49.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.82 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -151.89 130.78 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -126.36 115.95 20.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.559 ' HB2' HG22 ' A' ' 10' ' ' VAL . 87.9 m-85 -88.36 157.79 18.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -149.57 108.78 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.4 t -82.05 110.45 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.81 148.67 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -146.93 105.36 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.987 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.8 t -101.38 115.41 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -158.97 140.86 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.565 HG22 ' HB2' ' A' ' 83' ' ' TYR . 85.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.754 0.312 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -63.19 117.71 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -84.59 147.45 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' SER . 36.3 m-85 -143.07 160.31 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -151.85 123.25 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.964 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.7 m -142.69 -174.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.94 169.54 13.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.71 . . . . 0.0 110.811 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.84 98.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.617 2.211 . . . . 0.0 112.345 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.85 -7.35 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.74 -174.4 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 57' ' ' GLU . 44.9 tp -109.79 109.33 19.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.9 105.31 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.53 135.44 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -128.08 172.61 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 38.6 ttp180 -151.45 139.5 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -111.33 145.62 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.9 0.381 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.8 139.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -122.94 105.76 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.512 ' CD1' HG23 ' A' ' 51' ' ' ILE . 65.3 m95 -81.9 135.88 35.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.6 mt -136.29 159.68 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.771 ' O ' HG12 ' A' ' 41' ' ' VAL . 29.9 ttp85 -150.12 115.72 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 26.0 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.49 47.62 5.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 38' ' ' ARG . 7.6 p -166.99 150.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.7 tp60 -56.13 131.4 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 51' ' ' ILE . 38.2 tp -81.05 147.01 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.7 145.28 50.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.604 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.7 mt-10 -96.94 154.93 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASN . 83.0 p -151.03 -177.81 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.3 m-20 -37.66 -40.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.2 mtt-85 -94.55 -61.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.6 HG23 HG22 ' A' ' 58' ' ' VAL . 22.6 m -58.44 137.73 57.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -143.66 113.02 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.604 HD12 ' CG ' ' A' ' 45' ' ' GLU . 49.0 mt -102.47 100.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.2 p -82.7 14.14 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 103.85 -61.7 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -115.46 -3.05 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -137.09 122.27 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 51' ' ' ILE . 75.2 t -104.3 140.2 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.658 ' CG ' HD11 ' A' ' 20' ' ' LEU . 30.5 tt0 -138.1 119.55 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.6 HG22 HG23 ' A' ' 49' ' ' THR . 6.9 t -120.86 111.36 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.9 mt-30 -75.21 150.01 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.1 t70 49.61 41.72 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 54.3 p -40.63 162.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.0 161.44 45.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.739 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 3.23 2.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.2 -26.76 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.13 -19.25 40.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 p -51.66 177.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.55 -152.67 23.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.9 tp -119.44 100.34 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.3 m-85 -80.83 137.17 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.72 120.22 19.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -102.33 125.12 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.442 HG22 HG23 ' A' ' 81' ' ' THR . 6.6 t -117.11 117.72 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -97.81 146.19 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.442 HG23 HG22 ' A' ' 72' ' ' VAL . 8.6 m -146.78 133.15 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -125.72 121.43 33.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.565 ' HB2' HG22 ' A' ' 10' ' ' VAL . 91.7 m-85 -92.88 154.66 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 19.5 m-85 -148.04 106.83 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -77.99 111.31 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.0 t -109.53 139.78 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -142.35 106.44 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.964 HG22 ' CG2' ' A' ' 15' ' ' VAL . 40.1 t -100.16 118.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -163.73 136.67 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.319 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.99 113.79 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 150.41 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' SER . 39.0 m-85 -143.97 166.64 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -155.67 124.46 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.887 ' CG2' HG22 ' A' ' 88' ' ' VAL . 26.8 m -145.55 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.491 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.09 169.88 12.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.1 Cg_endo -69.79 94.86 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.37 -12.47 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.34 -175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 tp -109.82 109.79 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.8 tp -82.52 104.87 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.88 128.03 56.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -124.08 167.05 14.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 23.7 ttt180 -146.08 143.35 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.3 129.25 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' CG2' ' SG ' ' A' ' 71' ' ' CYS . 9.6 mt -141.58 141.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -127.07 102.11 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.461 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 64.3 m95 -77.62 138.7 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 42' ' ' GLN . 14.5 mt -135.22 159.19 42.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.529 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 22.9 ttp85 -150.36 116.12 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 62.94 24.99 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 47.71 5.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.17 146.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.545 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -54.61 128.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.1 tp -78.71 158.64 28.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.28 150.32 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.0 mt-10 -98.55 154.61 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ASN . 1.6 m -156.6 177.36 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -35.58 -35.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.2 mtm-85 -97.27 -61.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.674 HG23 HG22 ' A' ' 58' ' ' VAL . 6.4 m -64.8 138.09 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLU . 15.1 tpt85 -141.68 110.1 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 56' ' ' VAL . 36.8 mt -102.32 102.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -86.58 17.56 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 108.3 -66.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -116.85 4.88 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -138.58 123.91 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 51' ' ' ILE . 79.8 t -106.67 135.54 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' ARG . 29.1 tt0 -134.31 118.14 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG22 HG23 ' A' ' 49' ' ' THR . 11.5 t -118.8 112.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -77.5 140.51 39.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.2 t70 59.6 41.12 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 58.2 p -39.21 160.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 161.54 46.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.49 -26.41 12.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -83.31 -24.47 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.6 p -49.95 168.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.59 -158.86 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.37 94.82 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 38.0 m-85 -76.0 136.39 39.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.24 117.77 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -99.7 130.32 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -118.21 116.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -100.59 131.58 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.1 m -144.9 128.77 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.1 m -121.67 120.44 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.03 160.96 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.1 m-85 -153.76 106.46 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.1 t -79.33 105.76 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.6 t -103.05 151.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.47 ' HB3' HD22 ' A' ' 14' ' ' LEU . 1.9 t30 -151.15 105.85 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.887 HG22 ' CG2' ' A' ' 15' ' ' VAL . 27.6 t -99.94 119.92 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -164.0 139.04 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -64.15 161.53 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -55.58 155.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.54 165.8 11.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -124.76 11.25 8.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 p -108.97 101.7 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.84 -44.93 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -139.84 169.25 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -105.8 113.67 27.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -104.8 92.19 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -61.23 115.97 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 t -84.37 150.52 25.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -143.93 161.51 38.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -149.93 126.32 10.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.937 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.0 m -147.89 -174.99 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.821 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -133.98 170.19 11.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.618 0.723 . . . . 0.0 110.83 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.0 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.326 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.93 -6.65 4.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -89.51 -173.83 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.2 tp -110.75 107.78 17.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.7 tp -80.17 102.02 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -109.49 133.88 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.6 mt -128.62 163.46 25.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 12.7 ttm105 -139.56 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 t -112.82 124.47 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.9 mtp-105 -68.74 112.19 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 34' ' ' ILE . 21.1 mt -102.54 171.64 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -124.99 -176.03 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -84.2 -12.33 55.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' VAL . 1.2 m-20 -102.34 -30.87 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 t -35.05 144.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -121.78 -35.13 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.28 179.62 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.673 HD11 HD11 ' A' ' 27' ' ' LEU . 16.2 mt -143.94 142.13 24.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -125.0 112.3 16.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.536 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.2 m95 -87.12 131.56 34.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.2 mt -131.17 165.1 24.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.826 ' O ' HG12 ' A' ' 41' ' ' VAL . 28.3 ttp85 -153.59 115.34 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.05 25.2 15.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.42 43.13 6.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -159.86 148.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.325 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.05 126.76 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.0 tp -79.19 151.74 31.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.01 157.94 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.544 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -102.75 161.86 13.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.4 t -159.9 -179.36 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -40.39 -35.45 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -98.72 -55.23 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG22 ' A' ' 58' ' ' VAL . 14.1 m -67.84 141.11 56.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.9 tpt180 -145.41 113.88 6.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.544 HD12 ' CG ' ' A' ' 45' ' ' GLU . 51.2 mt -101.68 103.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.4 p -88.51 20.3 3.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.457 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 102.46 -67.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.34 1.99 13.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -137.4 123.38 20.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 57.0 t -104.08 150.6 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.653 ' CG ' HD11 ' A' ' 20' ' ' LEU . 34.7 tt0 -147.98 120.06 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 49' ' ' THR . 8.7 t -122.23 105.39 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.45 143.82 51.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.0 t70 55.0 42.2 31.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 59.3 p -41.07 163.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.26 45.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.42 2.78 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.1 -17.07 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -91.58 -19.37 22.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.2 166.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.63 -159.14 28.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.9 tp -114.9 98.33 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 42.8 m-85 -78.86 142.2 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.72 117.09 12.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.413 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.6 p -99.98 125.63 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.71 119.24 61.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.463 HG21 ' CD2' ' A' ' 27' ' ' LEU . 17.8 p -99.43 128.46 45.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 t -88.0 117.83 27.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 71.5 p -127.75 153.99 77.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.675 0.75 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.82 3.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -120.61 -5.53 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.58 -144.72 11.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -159.76 112.86 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.23 167.54 14.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -148.27 137.14 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.4 m -130.06 119.75 23.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.17 156.29 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -148.24 108.64 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -83.82 102.33 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 87' ' ' ASN . 38.1 t -98.12 153.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.47 105.01 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.937 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.9 t -99.79 119.35 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -162.39 143.57 10.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -13.44 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.07 108.45 8.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.821 HD11 ' HB3' ' A' ' 16' ' ' HIS . 7.9 mt -139.46 151.99 68.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.605 0.717 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.84 24.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.254 . . . . 0.0 112.344 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 t -108.84 124.52 50.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -143.48 79.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -21.19 34.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.4 p -103.33 120.09 40.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -169.98 148.23 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -121.98 91.63 3.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.92 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -76.53 -58.21 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.49 44.7 1.06 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -162.93 120.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -117.86 117.79 30.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.82 132.24 2.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.74 164.84 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.771 0.319 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -98.79 122.5 42.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 83' ' ' TYR . 40.0 t -112.8 91.33 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' SER . 9.2 tt0 -59.85 121.27 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -87.34 152.75 22.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.0 m-85 -147.66 156.26 42.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.0 tm? -144.94 127.99 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.996 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.8 m -148.19 -175.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -133.2 170.26 11.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.75 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.0 -12.22 4.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.527 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.68 -173.58 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD11 ' CG ' ' A' ' 57' ' ' GLU . 47.1 tp -112.03 109.69 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.6 tp -82.8 104.9 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -111.02 131.02 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -125.88 168.88 13.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -147.67 144.17 28.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.9 t -116.34 115.85 26.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -59.66 111.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.662 HD11 HD11 ' A' ' 34' ' ' ILE . 30.2 mt -99.42 175.79 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -131.75 176.39 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.04 -11.37 59.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 31' ' ' VAL . 25.0 m-20 -103.32 -31.16 10.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 t -33.71 141.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -118.79 -34.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -148.69 177.98 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.662 HD11 HD11 ' A' ' 27' ' ' LEU . 18.4 mt -140.82 141.09 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -124.18 106.94 10.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 62.7 m95 -83.1 135.38 34.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 42' ' ' GLN . 11.6 mt -136.07 161.05 36.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.674 ' O ' HG12 ' A' ' 41' ' ' VAL . 26.8 ttp180 -149.22 113.37 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.3 25.59 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.38 41.92 7.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 38' ' ' ARG . 1.7 p -159.6 143.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.127 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -51.07 128.97 23.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.55 ' HG ' HD11 ' A' ' 51' ' ' ILE . 19.8 tp -79.55 147.47 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.34 154.32 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.5 mt-10 -100.91 155.27 18.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.7 p -151.03 -179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 47' ' ' ASN . 12.0 p-10 -42.66 -34.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -98.32 -55.51 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.519 HG23 HG22 ' A' ' 58' ' ' VAL . 28.0 m -65.83 139.07 58.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.4 tpt180 -143.9 108.76 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.55 HD11 ' HG ' ' A' ' 43' ' ' LEU . 48.3 mt -97.95 105.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -91.39 26.61 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 98.8 -68.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.3 pt-20 -118.71 8.59 11.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.35 117.4 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 51' ' ' ILE . 69.9 t -103.12 140.61 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.678 ' CG ' HD11 ' A' ' 20' ' ' LEU . 50.1 tt0 -138.71 118.02 12.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 HG23 ' A' ' 49' ' ' THR . 8.3 t -118.15 108.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -74.11 143.25 45.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.7 t70 54.65 42.59 31.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 51.4 p -41.05 163.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.29 161.36 45.02 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.585 0.707 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 3.26 2.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.55 -19.14 14.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -88.14 -24.34 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -44.82 170.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 -163.66 28.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.9 tp -110.32 97.61 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 38' ' ' ARG . 13.6 m-85 -77.56 138.45 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.92 117.16 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.419 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -101.05 125.14 47.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 80' ' ' ASP . 10.5 t -115.24 116.23 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.426 HG21 ' CD2' ' A' ' 27' ' ' LEU . 25.7 p -99.18 128.11 45.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m -88.17 114.55 24.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -130.81 152.85 81.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -0.12 6.42 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 90.9 p -112.46 -11.68 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.31 128.33 2.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.455 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -72.28 123.29 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.417 ' O ' HG13 ' A' ' 72' ' ' VAL . 4.2 t70 -94.27 -178.23 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.415 HG23 HG22 ' A' ' 72' ' ' VAL . 6.2 m -155.56 133.81 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.499 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -127.54 119.19 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.662 ' HB2' HG22 ' A' ' 10' ' ' VAL . 71.1 m-85 -91.92 155.52 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.2 m-85 -147.66 106.11 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' PHE . 41.0 t -80.34 105.86 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.2 t -103.14 152.72 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.01 106.34 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.996 HG22 ' CG2' ' A' ' 15' ' ' VAL . 55.3 t -100.78 119.81 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -162.34 144.0 10.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -62.73 -14.07 40.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.05 121.02 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.711 HD23 HD11 ' A' ' 14' ' ' LEU . 4.5 mt -138.06 151.54 70.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 2.69 3.3 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -59.64 178.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -166.98 83.15 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 177.58 5.42 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.6 m -120.87 -68.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 t -37.9 -51.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -75.9 149.37 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -137.19 133.75 35.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 84.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.8 m -91.21 134.92 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -136.38 146.92 47.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.11 53.82 1.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -138.47 169.82 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.126 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' H ' HG12 ' A' ' 8' ' ' VAL . 8.3 pt-20 -88.81 117.08 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.91 92.59 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 15.0 tt0 -59.39 113.35 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -83.97 146.25 28.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 11' ' ' GLU . 45.2 m-85 -140.67 167.26 22.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD11 HD23 ' A' ' 92' ' ' LEU . 2.8 tm? -156.22 128.07 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.951 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.9 m -149.23 -174.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.639 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.1 169.85 12.82 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.58 0.705 . . . . 0.0 110.836 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.3 Cg_endo -69.77 97.08 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.07 -11.41 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.76 -174.19 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.0 tp -111.27 107.72 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 tp -80.6 107.62 13.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -113.42 131.52 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -125.72 169.27 12.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -147.07 142.5 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.6 t -115.28 115.34 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -57.19 110.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.612 HD22 HG11 ' A' ' 31' ' ' VAL . 41.4 mt -98.75 175.08 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -131.98 -177.36 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -83.55 -10.75 58.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 31' ' ' VAL . 37.4 m-20 -104.85 -29.6 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.612 HG11 HD22 ' A' ' 27' ' ' LEU . 4.2 t -33.31 139.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -119.27 -29.17 5.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.3 t -153.9 178.87 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 33' ' ' SER . 9.4 mt -143.44 140.09 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -124.16 106.75 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 69.0 m95 -81.15 134.73 35.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 42' ' ' GLN . 10.1 mt -133.32 162.22 32.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.574 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 31.3 ttp180 -152.02 114.02 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 63.22 25.9 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.21 43.54 7.01 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -160.43 148.9 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 111.132 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.5 tp60 -58.47 125.94 25.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.0 tp -76.42 153.54 35.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.69 159.17 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 3.5 mt-10 -103.33 162.17 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 t -160.02 -176.42 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -44.96 -37.49 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -96.02 -52.81 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 HG22 ' A' ' 58' ' ' VAL . 12.9 m -68.52 139.76 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' GLU . 5.7 tpp180 -144.32 113.6 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 56' ' ' VAL . 57.3 mt -105.44 110.08 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.6 p -91.17 7.37 41.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.2 -57.01 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -122.3 -3.06 8.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -134.55 122.7 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 79.8 t -102.81 147.13 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.5 tt0 -144.43 118.55 9.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.552 HG22 HG23 ' A' ' 49' ' ' THR . 13.9 t -120.09 108.43 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -72.51 142.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.2 t70 53.42 44.79 29.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 38.4 p -41.97 165.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.26 161.13 43.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.617 0.723 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 2.93 3.07 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.88 -17.53 14.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.073 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -90.02 -22.2 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -48.77 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.86 -152.48 24.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.2 tp -121.19 96.77 5.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.6 m-85 -77.57 141.6 39.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.52 115.15 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.8 p -96.64 127.48 42.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.42 117.4 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.7 p -98.56 140.6 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -102.39 108.97 20.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.7 p -126.9 152.51 75.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.721 0.772 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.65 4.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -115.04 -10.64 12.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.13 129.08 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 65.6 p -77.76 121.47 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.85 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -92.72 178.97 5.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 m -151.83 133.06 14.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.6 m -126.75 119.29 26.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -91.43 157.73 16.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.4 m-85 -149.41 108.98 3.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.68 106.33 13.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.4 t -102.11 151.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -151.19 105.07 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.951 HG22 ' CG2' ' A' ' 15' ' ' VAL . 54.7 t -100.02 119.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.5 t -161.88 143.7 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -9.93 4.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.42 113.39 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.771 HD23 HD11 ' A' ' 14' ' ' LEU . 9.8 mt -136.73 143.74 44.05 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 106.74 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t -91.74 146.95 23.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.92 -96.28 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -3.85 12.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.234 . . . . 0.0 112.343 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.6 t -146.68 153.83 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 p -55.91 124.59 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -84.1 91.4 7.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -42.88 133.05 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.55 134.53 5.2 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 m -99.1 103.51 15.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -85.24 -49.68 7.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.81 87.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.91 165.9 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.09 113.0 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.71 91.93 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.74 108.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.9 t -80.05 149.43 30.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.4 m-85 -141.09 171.97 13.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.5 tm? -158.43 125.32 4.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.981 ' CG2' HG22 ' A' ' 88' ' ' VAL . 33.3 m -147.76 -175.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.33 169.85 12.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.71 93.36 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 136.97 -8.86 3.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -86.66 -174.43 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.789 0.328 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.558 HD11 ' CG ' ' A' ' 57' ' ' GLU . 41.8 tp -110.05 107.55 17.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -79.58 101.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -109.06 132.75 53.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -125.69 174.65 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -151.69 140.88 21.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.2 t -114.63 115.19 26.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mtp180 -62.6 108.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 34' ' ' ILE . 20.5 mt -98.27 -177.18 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -136.27 -177.48 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -82.83 -10.37 58.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m-20 -103.24 -32.79 9.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.9 t -32.17 142.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -116.75 -35.97 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 p -150.14 178.58 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.739 HD11 HD11 ' A' ' 27' ' ' LEU . 13.0 mt -139.96 140.34 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -125.54 105.01 8.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.499 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 70.2 m95 -78.98 137.37 37.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' GLN . 11.9 mt -135.21 162.08 33.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.817 ' O ' HG12 ' A' ' 41' ' ' VAL . 21.4 ttp85 -151.4 113.61 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 62.61 25.76 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.74 43.32 6.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.817 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.7 p -160.74 147.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.115 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -55.87 128.4 34.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' HG ' HD11 ' A' ' 51' ' ' ILE . 37.3 tp -79.96 146.3 32.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.17 152.83 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -97.74 157.8 15.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -153.67 178.98 9.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -38.93 -35.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -100.31 -54.09 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 58' ' ' VAL . 7.1 m -65.74 138.61 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' GLU . 11.6 tpt180 -143.38 114.38 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.5 HD11 ' HG ' ' A' ' 43' ' ' LEU . 49.5 mt -105.42 102.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.9 p -83.59 13.1 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 106.88 -61.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.19 -2.45 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -135.94 126.57 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 74.7 t -105.09 145.42 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.558 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.5 tt0 -144.09 118.97 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 49' ' ' THR . 9.9 t -121.34 111.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -74.74 144.19 43.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.9 t70 52.74 44.11 30.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.3 p -41.44 164.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -144.46 160.81 46.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.135 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.37 2.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.68 -18.48 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 67.0 m-20 -89.35 -20.22 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 m -50.61 176.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.41 -156.41 26.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 83' ' ' TYR . 49.7 tp -117.58 95.35 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.547 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 51.2 m-85 -76.42 138.65 40.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.64 117.44 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.3 p -98.66 126.15 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -114.18 117.45 55.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.556 HG21 ' CD2' ' A' ' 27' ' ' LEU . 31.7 p -104.39 129.54 52.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 52.1 m -89.92 122.0 32.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -136.62 152.82 75.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.664 0.745 . . . . 0.0 110.829 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -0.84 7.45 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.364 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -113.8 -6.56 13.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.29 128.4 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -70.02 130.72 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.814 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -101.32 174.14 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -151.29 135.39 16.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.53 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.3 m -130.29 117.99 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' HB3' HD11 ' A' ' 68' ' ' LEU . 75.4 m-85 -89.62 159.18 17.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.53 ' CE1' ' O ' ' A' ' 82' ' ' THR . 16.7 m-85 -150.79 106.85 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.7 t -80.4 107.48 13.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.7 t -103.33 150.28 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -150.24 105.39 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.981 HG22 ' CG2' ' A' ' 15' ' ' VAL . 46.9 t -100.87 117.29 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -161.23 138.17 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -51.78 -17.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -81.23 110.91 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 14' ' ' LEU . 3.8 mt -133.59 142.38 43.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.23 4.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.246 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.9 m -85.06 94.64 8.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -45.66 -93.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 147.85 64.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -101.77 141.75 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -127.4 128.04 45.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -90.81 144.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -161.28 134.04 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.48 -84.92 0.34 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -90.26 84.28 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 p -82.05 -49.98 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.89 60.21 0.12 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -140.58 174.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.099 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.552 ' H ' HG12 ' A' ' 8' ' ' VAL . 6.8 pt-20 -97.19 97.29 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.7 t -91.13 92.27 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.83 111.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -80.32 149.41 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' SER . 30.1 m-85 -144.93 161.58 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.775 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.3 tm? -151.92 128.48 10.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.967 ' CG2' HG22 ' A' ' 88' ' ' VAL . 27.7 m -148.91 -174.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.574 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.76 170.34 11.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.78 93.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.33 -8.08 4.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.87 -174.51 5.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.4 tp -110.56 107.12 16.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 tp -80.73 105.33 11.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -112.58 137.0 51.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.67 173.47 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -149.38 145.81 27.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 49.7 t -118.06 124.82 49.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -69.26 111.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 34' ' ' ILE . 31.9 mt -98.07 171.21 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -124.9 -178.78 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 -1.31 57.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -117.31 -24.68 7.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG11 HD22 ' A' ' 27' ' ' LEU . 4.2 t -38.63 140.32 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -110.78 -37.58 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -151.16 177.17 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.587 HD11 HD11 ' A' ' 27' ' ' LEU . 10.4 mt -136.53 140.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -122.96 104.64 9.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.583 ' CD1' HG23 ' A' ' 51' ' ' ILE . 70.5 m95 -78.87 134.63 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 42' ' ' GLN . 12.6 mt -132.41 162.78 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.617 ' O ' HG12 ' A' ' 41' ' ' VAL . 27.1 ttp85 -152.25 115.2 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.0 t0 62.9 26.29 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.58 43.76 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 38' ' ' ARG . 1.4 p -162.69 144.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.537 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -50.6 129.75 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' A' ' 51' ' ' ILE . 50.3 tp -79.38 152.89 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.61 154.88 47.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.8 158.62 15.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.5 p -154.37 -179.73 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -43.72 -32.3 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.3 mtt-85 -100.4 -54.4 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.537 HG23 HG22 ' A' ' 58' ' ' VAL . 31.6 m -64.86 143.1 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 tpt85 -146.37 110.53 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.583 HG23 ' CD1' ' A' ' 36' ' ' TRP . 51.0 mt -100.77 102.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.5 p -84.92 15.03 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 102.1 -59.03 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.514 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' OE1' HD12 ' A' ' 27' ' ' LEU . 3.6 pt-20 -119.23 2.13 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -140.02 125.39 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG23 ' CE2' ' A' ' 36' ' ' TRP . 76.5 t -107.21 136.03 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.482 ' CG ' HD11 ' A' ' 20' ' ' LEU . 29.3 tt0 -137.58 116.4 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 HG23 ' A' ' 49' ' ' THR . 11.4 t -118.58 117.72 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.5 mt-30 -79.12 153.51 30.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 t70 46.0 41.54 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 75.2 p -38.51 158.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.3 161.84 48.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 1.52 4.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.388 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.18 -21.75 14.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.71 -21.87 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.6 p -52.11 173.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.67 -152.76 24.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.434 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.6 tp -118.82 98.53 6.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.9 m-85 -78.75 147.51 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.68 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.7 p -94.93 126.28 40.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.9 t -114.49 117.24 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 p -100.18 131.72 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.6 t -94.57 120.71 35.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -130.35 153.09 81.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.655 0.74 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.347 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 m -121.71 -2.93 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.13 -151.45 23.15 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.1 p -155.09 122.9 5.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.38 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.21 165.59 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.2 m -147.79 127.71 13.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.8 m -120.85 118.66 30.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -91.0 159.52 16.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 82' ' ' THR . 10.0 m-85 -151.22 106.51 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.3 t -80.14 103.44 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.86 146.58 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -146.96 106.61 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.967 HG22 ' CG2' ' A' ' 15' ' ' VAL . 35.3 t -101.12 119.4 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -163.29 138.03 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -53.41 -26.82 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.627 ' C ' HD12 ' A' ' 92' ' ' LEU . . . -83.23 123.18 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.627 HD12 ' C ' ' A' ' 91' ' ' ALA . 5.2 mp -126.42 150.79 71.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.623 0.725 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 95' ' ' GLY . 53.9 Cg_endo -69.76 -7.6 21.46 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -60.7 81.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 93' ' ' PRO . . . 91.81 -177.49 40.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 157.03 61.79 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -55.04 99.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.7 t -103.77 -45.8 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -128.07 158.86 36.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -59.27 176.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 -46.73 0.15 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -104.47 152.56 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 p -124.69 173.29 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.7 67.86 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG12 ' H ' ' A' ' 9' ' ' GLU . 1.5 t -152.19 170.45 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.14 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.531 ' H ' HG12 ' A' ' 8' ' ' VAL . 11.0 pt-20 -105.43 118.13 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.1 t -120.16 94.5 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -60.65 119.28 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -88.13 148.76 24.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 41.3 m-85 -141.89 169.15 18.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.5 tm? -157.88 129.92 7.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.987 ' CG2' HG22 ' A' ' 88' ' ' VAL . 29.6 m -151.27 -175.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.79 170.16 12.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.4 Cg_endo -69.7 96.0 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.48 -10.26 4.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -84.2 -173.78 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD11 ' CG ' ' A' ' 57' ' ' GLU . 50.8 tp -111.7 106.2 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.7 tp -78.97 108.5 12.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -115.01 126.39 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.34 160.69 26.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 13.5 ttp85 -136.79 135.63 38.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.1 t -97.28 145.71 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -83.25 114.38 21.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD22 HG11 ' A' ' 31' ' ' VAL . 94.2 mt -109.35 170.34 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -135.38 -175.26 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -82.7 -8.6 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 31' ' ' VAL . 19.7 m-20 -107.33 -29.33 9.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.727 HG11 HD22 ' A' ' 27' ' ' LEU . 3.3 t -33.41 142.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -120.2 -33.54 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -150.31 179.44 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.519 ' CD1' HD21 ' A' ' 27' ' ' LEU . 16.2 mt -141.79 143.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' VAL . 10.0 t30 -131.4 103.28 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.519 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 77.5 m95 -75.95 141.75 42.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.4 mt -142.13 159.77 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.818 ' O ' HG12 ' A' ' 41' ' ' VAL . 45.2 ttp180 -148.15 117.77 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.05 25.02 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 48.19 5.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.818 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.6 p -166.22 148.7 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.52 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.8 tp60 -55.74 128.33 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' HG ' HD11 ' A' ' 51' ' ' ILE . 32.3 tp -77.54 148.9 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.37 148.31 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -98.73 159.96 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ARG . 88.7 p -159.96 174.86 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' SER . 15.2 m-20 -35.37 -34.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' SER . 83.5 mtm-85 -96.36 -61.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 58' ' ' VAL . 21.8 m -64.03 141.29 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.4 tpt180 -144.3 108.21 4.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.519 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 49.1 mt -99.75 103.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -87.94 21.38 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 101.39 -67.16 0.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' CB ' HD11 ' A' ' 27' ' ' LEU . 2.0 pt-20 -115.18 11.13 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.875 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -146.49 129.3 16.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 90.7 t -111.67 139.9 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.563 ' CG ' HD11 ' A' ' 20' ' ' LEU . 55.8 tt0 -139.14 117.46 11.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.563 HG22 HG23 ' A' ' 49' ' ' THR . 6.0 t -118.85 110.52 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HG2' HD13 ' A' ' 20' ' ' LEU . 69.1 mt-30 -75.92 140.69 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 61' ' ' SER . 4.4 t70 58.28 43.53 20.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.4 p -41.23 163.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.54 161.01 45.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 3.58 2.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.29 -26.88 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -80.94 -28.41 35.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.4 p -46.64 172.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.77 -149.57 21.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.8 tp -120.5 97.37 5.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.4 145.42 35.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.19 115.94 8.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.7 p -98.0 126.66 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 35' ' ' ASN . 5.2 t -114.24 117.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.697 HG21 HD23 ' A' ' 27' ' ' LEU . 35.1 p -102.87 130.9 50.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m -85.97 115.13 23.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -130.4 152.62 80.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.85 4.07 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.6 m -114.46 -10.58 12.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.28 126.51 2.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 116.32 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 72' ' ' VAL . 3.0 t70 -83.52 -176.61 6.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.8 m -160.46 129.17 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -123.69 116.02 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -88.28 158.66 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' A' ' 82' ' ' THR . 27.5 m-85 -151.15 106.44 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' PHE . 6.6 t -78.64 109.57 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.3 t -106.43 151.58 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.64 105.12 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.987 HG22 ' CG2' ' A' ' 15' ' ' VAL . 51.2 t -100.52 117.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.4 t -159.78 143.4 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -17.13 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.23 109.32 5.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 16' ' ' HIS . 55.9 mt -137.46 152.21 72.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.63 14.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -83.98 39.48 0.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -169.06 75.36 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.66 3.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.3 p -147.33 171.46 15.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 m -100.58 -49.14 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 t -62.07 112.35 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 56.13 38.61 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.01 -142.64 33.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 61.48 40.93 13.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.365 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.4 m -97.46 60.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.66 -166.64 42.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -136.17 175.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.124 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.577 ' H ' HG12 ' A' ' 8' ' ' VAL . 6.7 pt-20 -86.72 118.3 26.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.2 91.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.21 114.36 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -81.78 150.11 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 47.4 m-85 -142.95 169.56 17.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD11 HD23 ' A' ' 92' ' ' LEU . 3.4 tm? -158.26 132.98 8.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.962 ' CG2' HG22 ' A' ' 88' ' ' VAL . 30.6 m -155.93 -174.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.694 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.13 170.18 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.2 Cg_endo -69.71 96.78 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.68 -15.53 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.35 -174.54 5.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.936 HD11 ' CG ' ' A' ' 57' ' ' GLU . 59.3 tp -110.39 114.68 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.8 tp -85.47 105.47 16.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.488 HE21 HD23 ' A' ' 20' ' ' LEU . 32.7 mt-30 -109.18 138.9 44.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -135.05 162.54 32.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.6 ttm180 -138.57 140.42 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.1 t -112.84 125.5 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -68.84 112.5 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.931 HD22 HG11 ' A' ' 31' ' ' VAL . 76.8 mt -99.3 168.57 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' H ' ' CG2' ' A' ' 31' ' ' VAL . 17.0 mtp180 -119.81 -174.72 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -13.74 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 13.0 m-20 -106.41 -24.6 12.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.931 HG11 HD22 ' A' ' 27' ' ' LEU . 3.7 t -36.13 138.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -114.09 -40.36 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 p -144.4 176.9 9.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.665 ' CD1' HD21 ' A' ' 27' ' ' LEU . 27.7 mt -138.25 142.97 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.511 ' ND2' HE22 ' A' ' 42' ' ' GLN . 2.9 t30 -124.38 108.61 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.6 m95 -82.74 130.37 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.3 mt -128.54 166.64 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.714 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.1 ttp85 -155.34 115.3 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t70 63.35 25.34 14.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.92 43.45 7.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.7 p -161.59 152.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.768 0.318 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.511 HE22 ' ND2' ' A' ' 35' ' ' ASN . 2.1 tp60 -57.23 133.32 54.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 38' ' ' ARG . 31.3 tp -88.24 147.61 24.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.08 153.77 46.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.589 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.2 mt-10 -97.76 165.5 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' ARG . 1.2 t -161.28 174.54 13.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 17.3 m120 -36.11 -31.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' SER . 82.4 mtm180 -100.86 -59.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.622 HG23 HG22 ' A' ' 58' ' ' VAL . 17.8 m -62.79 136.81 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -139.14 109.32 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.4 mt -100.31 102.69 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 82.7 p -86.4 12.84 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 109.5 -63.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.489 ' OE1' HD12 ' A' ' 27' ' ' LEU . 4.0 pt-20 -119.69 4.05 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -139.25 118.88 13.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 74.9 t -98.4 148.53 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.936 ' CG ' HD11 ' A' ' 20' ' ' LEU . 35.6 tt0 -148.17 109.14 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 49' ' ' THR . 15.9 t -112.96 110.63 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -74.94 145.34 42.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.8 t70 54.37 41.31 32.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.8 p -40.16 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.67 161.22 44.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.096 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.8 -18.57 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 59.8 m-20 -90.33 -23.19 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -47.92 174.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.98 -156.17 26.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.0 tp -116.71 99.87 7.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.585 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.1 m-85 -81.17 145.55 30.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.59 116.76 8.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 2.2 p -97.67 126.86 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -115.29 119.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.517 HG21 HD23 ' A' ' 27' ' ' LEU . 14.9 p -102.65 129.63 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -93.19 118.8 31.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.5 p -126.39 154.05 74.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 2.27 3.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -121.35 -4.35 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.17 -149.73 21.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 p -155.86 126.45 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.79 170.95 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.9 m -150.8 134.21 16.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.4 m -127.16 119.99 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' C ' ' CG ' ' A' ' 84' ' ' PHE . 3.0 m-85 -89.89 164.47 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 82' ' ' THR . 16.8 m-85 -156.7 107.27 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.5 t -83.65 104.88 14.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.39 151.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.15 105.06 3.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.962 HG22 ' CG2' ' A' ' 15' ' ' VAL . 25.9 t -100.98 118.24 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 140.6 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.92 -17.09 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.37 106.9 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 16' ' ' HIS . 9.1 mt -129.96 147.86 67.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 94.02 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -156.4 152.25 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -169.89 78.27 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.88 13.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.2 t -100.07 151.36 21.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.1 t -130.96 126.44 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 62.63 42.24 8.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -109.98 114.82 28.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.65 133.96 3.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -132.03 177.7 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -101.42 41.78 1.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.96 129.73 4.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.19 175.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -109.67 118.23 36.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.3 t -113.94 92.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.44 113.37 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -83.0 147.68 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -143.67 160.88 39.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.774 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -150.8 124.12 8.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.919 ' CG2' HG22 ' A' ' 88' ' ' VAL . 34.3 m -144.85 -175.03 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.6 169.27 14.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.704 . . . . 0.0 110.869 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 90.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.4 -9.27 2.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.21 -174.79 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.534 HD11 ' CG ' ' A' ' 57' ' ' GLU . 30.1 tp -109.83 107.37 17.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.8 tp -78.54 102.27 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.424 HE21 HD21 ' A' ' 20' ' ' LEU . 46.3 mt-30 -107.6 133.24 52.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.5 mt -129.18 166.88 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 26.7 ttp180 -142.98 142.87 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' GLU . 54.0 t -115.5 124.5 51.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -70.29 112.36 6.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 54' ' ' GLU . 81.7 mt -99.08 171.71 7.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -123.59 -174.69 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -87.47 -5.22 58.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.4 p30 -112.37 -29.85 7.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.0 t -34.22 136.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -114.17 -32.79 5.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -148.4 178.9 8.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.5 mt -138.55 149.09 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.9 t30 -132.22 101.84 5.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.641 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.4 m95 -78.62 133.35 37.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.8 mt -133.68 161.36 34.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.826 ' O ' HG12 ' A' ' 41' ' ' VAL . 37.6 ttp180 -151.99 116.41 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.61 25.46 13.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.44 7.33 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 38' ' ' ARG . 9.8 p -163.15 152.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.3 tp60 -56.78 136.08 55.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HG ' HD11 ' A' ' 51' ' ' ILE . 49.0 tp -87.35 152.13 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.01 148.66 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.61 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -99.61 158.43 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -158.78 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -39.82 -35.2 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -97.33 -61.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.619 HG23 HG22 ' A' ' 58' ' ' VAL . 15.9 m -65.72 137.4 57.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.4 tpt180 -141.37 111.04 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.61 HD12 ' CG ' ' A' ' 45' ' ' GLU . 53.5 mt -97.38 99.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.1 p -82.86 17.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 102.21 -70.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.8 pt-20 -106.97 -7.78 16.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -130.94 139.68 50.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.641 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 85.3 t -117.24 141.93 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.534 ' CG ' HD11 ' A' ' 20' ' ' LEU . 29.4 tt0 -139.43 119.18 13.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.619 HG22 HG23 ' A' ' 49' ' ' THR . 7.7 t -120.97 108.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -72.91 146.78 45.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.5 t70 51.29 42.37 28.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -41.02 163.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.81 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.38 161.43 44.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.612 0.72 . . . . 0.0 111.162 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 1.49 4.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.62 -23.0 14.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.01 -20.85 28.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -50.08 174.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.8 -163.57 27.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.3 tp -109.98 98.54 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.5 m-85 -77.57 147.97 35.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.07 111.78 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.425 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -95.6 124.9 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 35' ' ' ASN . 38.5 t -115.26 122.42 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.0 p -101.92 129.21 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 m -88.56 109.58 20.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.5 p -121.3 155.72 58.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -113.85 -12.91 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.06 -134.33 3.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 p -161.07 111.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -81.25 162.03 23.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.461 HG23 HG22 ' A' ' 72' ' ' VAL . 6.6 m -149.38 124.29 9.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.1 m -120.45 121.84 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -92.57 157.95 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 82' ' ' THR . 10.4 m-85 -149.88 110.97 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 t -84.72 102.17 12.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -100.41 150.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.483 ' HB3' HD22 ' A' ' 14' ' ' LEU . 4.2 t30 -150.06 106.11 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.919 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.9 t -100.08 119.98 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -163.82 138.42 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -53.8 -31.1 47.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.79 124.75 28.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 mp -126.32 155.99 73.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -3.54 12.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 m -73.3 142.94 47.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.81 151.3 13.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -48.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -123.04 156.65 34.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.5 p -96.74 88.57 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.483 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -152.84 114.54 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -85.32 165.66 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.02 121.53 3.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -74.58 120.6 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 m -107.63 124.91 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.65 136.51 13.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.49 161.88 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 111.139 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -81.94 110.75 17.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 83' ' ' TYR . 96.0 t -111.28 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.184 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.43 119.56 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -89.28 146.29 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -140.28 167.51 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.8 OUTLIER -156.95 123.07 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.921 ' CG2' HG22 ' A' ' 88' ' ' VAL . 31.5 m -143.23 -174.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.51 169.65 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.2 Cg_endo -69.78 99.0 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.715 2.276 . . . . 0.0 112.328 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.7 -8.6 6.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -86.0 -174.1 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.595 HD11 ' HG2' ' A' ' 57' ' ' GLU . 46.9 tp -111.26 106.66 15.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.5 tp -78.74 109.58 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -114.4 134.57 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.1 mt -127.5 173.89 9.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 16.6 ttm105 -152.76 139.97 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -117.52 116.78 27.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -61.08 112.82 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.855 HD22 HG11 ' A' ' 31' ' ' VAL . 75.5 mt -96.02 177.15 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -134.48 161.58 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.44 -9.77 37.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 m-20 -105.38 -31.95 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.855 HG11 HD22 ' A' ' 27' ' ' LEU . 11.6 t -34.34 142.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -118.52 -29.41 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -155.98 176.81 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.697 ' CD1' HD21 ' A' ' 27' ' ' LEU . 16.4 mt -139.87 142.43 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -126.14 106.88 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.521 ' CD1' HG23 ' A' ' 51' ' ' ILE . 68.4 m95 -80.74 134.47 35.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -132.36 157.33 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.559 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 29.7 ttp180 -146.71 114.27 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.04 25.55 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.29 50.56 4.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -170.22 148.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.324 . . . . 0.0 111.14 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.32 129.25 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 51' ' ' ILE . 36.8 tp -78.77 157.48 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.82 153.08 52.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.041 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -97.39 160.58 14.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.17 -178.14 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.07 -23.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -108.74 -58.3 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.53 HG23 HG22 ' A' ' 58' ' ' VAL . 33.6 m -65.34 136.05 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.1 tpt180 -137.91 110.12 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG23 ' CD1' ' A' ' 36' ' ' TRP . 53.6 mt -99.84 103.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -89.24 19.7 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.41 -67.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' OE1' HD12 ' A' ' 27' ' ' LEU . 4.5 pt-20 -116.18 -1.74 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -132.37 119.86 21.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 82.1 t -102.47 140.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.595 ' HG2' HD11 ' A' ' 20' ' ' LEU . 37.8 tt0 -139.16 115.22 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.53 HG22 HG23 ' A' ' 49' ' ' THR . 11.3 t -117.3 113.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HG2' HD13 ' A' ' 20' ' ' LEU . 76.3 mt-30 -78.4 146.54 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t70 54.34 39.6 31.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 54.0 p -39.05 159.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.85 161.79 44.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.632 0.73 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.94 -19.4 14.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -88.8 -25.55 22.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 m -45.42 169.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.13 -164.23 28.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.6 tp -107.77 95.31 5.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.559 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.7 m-85 -77.86 137.57 38.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.65 121.46 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.7 p -101.97 125.11 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 81' ' ' THR . 19.5 t -114.9 116.81 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.499 HG21 HD23 ' A' ' 27' ' ' LEU . 31.9 p -100.99 128.47 47.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.4 m -88.54 107.04 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.7 p -123.1 152.73 63.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 2.35 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -115.24 -8.86 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 137.7 130.73 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.518 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -73.13 117.94 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -88.74 -177.66 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.451 HG23 HG22 ' A' ' 72' ' ' VAL . 4.1 m -158.49 129.87 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -124.59 118.11 25.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.556 ' HB2' HG22 ' A' ' 10' ' ' VAL . 97.0 m-85 -89.64 155.6 19.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -147.58 108.14 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -79.95 107.25 12.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.1 t -104.53 146.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.434 ' HB3' HD22 ' A' ' 14' ' ' LEU . 3.0 t30 -146.51 105.66 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.921 HG22 ' CG2' ' A' ' 15' ' ' VAL . 50.5 t -99.95 120.7 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 t -164.55 145.04 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.23 -16.87 49.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.16 111.91 8.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 16' ' ' HIS . 10.5 mt -138.93 152.05 69.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.74 2.293 . . . . 0.0 112.341 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -64.64 159.28 22.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.55 98.17 0.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -177.39 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.737 2.291 . . . . 0.0 112.3 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.2 m -65.89 122.26 16.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 96.5 p -96.48 -51.96 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -131.73 120.3 22.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -47.95 157.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.84 -172.06 19.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -97.7 149.55 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -101.38 -60.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.61 132.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -142.06 170.43 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -98.63 111.83 24.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.2 94.96 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.36 116.04 4.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -86.0 146.2 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.8 m-85 -142.47 159.96 41.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.9 tm? -149.88 128.73 12.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.993 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.0 m -149.13 -174.99 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -132.32 170.49 11.22 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.827 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.8 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.331 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.03 -7.85 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -85.97 -175.38 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 tp -109.95 108.5 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -82.48 109.87 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -118.33 125.35 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.6 mt -117.84 175.2 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 21.6 ttt-85 -150.54 142.69 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.5 t -118.59 122.36 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 16.7 ptt180 -68.92 114.81 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.798 HD22 HG11 ' A' ' 31' ' ' VAL . 94.4 mt -99.59 167.34 10.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -117.83 -178.83 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -82.06 -12.07 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 31' ' ' VAL . 7.9 p30 -105.6 -30.81 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.798 HG11 HD22 ' A' ' 27' ' ' LEU . 7.0 t -34.6 137.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.52 -37.07 4.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.12 178.3 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.739 ' CD1' HD21 ' A' ' 27' ' ' LEU . 29.1 mt -140.51 142.14 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -123.95 110.77 15.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.587 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 66.7 m95 -85.25 133.2 34.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.3 mt -132.8 164.48 26.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.725 ' O ' HG12 ' A' ' 41' ' ' VAL . 33.2 ttp180 -152.74 116.47 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 61.3 27.3 16.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.15 7.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.5 p -163.14 146.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.313 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.513 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -52.57 133.45 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 51' ' ' ILE . 36.7 tp -86.62 148.86 25.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.35 151.98 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.047 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.8 mt-10 -98.29 154.36 17.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 48' ' ' ARG . 99.2 p -151.51 173.92 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 29.2 t-20 -34.45 -32.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 46' ' ' SER . 68.1 mtm-85 -99.82 -60.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.615 HG23 HG22 ' A' ' 58' ' ' VAL . 24.8 m -63.46 143.59 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' GLU . 18.4 tpt180 -146.56 119.51 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.1 mt -107.82 103.7 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -87.87 12.98 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.88 -67.27 0.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.3 pt-20 -115.57 1.11 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -136.41 123.87 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 97.4 t -103.53 143.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' ARG . 51.2 tt0 -142.39 118.06 10.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.615 HG22 HG23 ' A' ' 49' ' ' THR . 10.7 t -121.98 116.04 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -78.98 147.58 32.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.5 t70 50.12 43.66 25.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 65.5 p -39.78 161.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.58 161.48 49.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.67 -24.19 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -84.95 -22.37 29.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.4 p -50.43 177.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.67 -157.81 24.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.8 tp -113.94 101.29 9.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 17.7 m-85 -81.81 144.44 31.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.8 118.38 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.4 p -100.92 125.57 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.2 119.91 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.524 HG21 HD23 ' A' ' 27' ' ' LEU . 18.9 p -100.46 130.05 46.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.4 m -90.55 117.88 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.0 p -126.55 154.66 75.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.32 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.358 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 t -119.77 -7.95 9.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.31 -141.54 7.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 p -162.73 117.7 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -91.72 172.81 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.4 m -151.41 138.89 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.476 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.2 m -131.38 121.47 24.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -93.43 156.2 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.519 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 12.4 m-85 -148.58 107.35 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.0 t -79.38 109.32 13.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.63 148.23 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -148.3 105.01 3.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.993 HG22 ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -101.0 115.68 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t -158.27 142.55 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -24.93 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.45 121.4 28.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mp -120.93 152.07 55.8 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.66 35.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 t -38.65 127.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 96' ' ' PRO . . . -50.31 115.85 3.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 95' ' ' GLY . 53.7 Cg_endo -69.8 -174.14 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.682 2.255 . . . . 0.0 112.305 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t -115.07 -62.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.4 p -78.89 149.44 32.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -130.7 128.14 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -149.31 142.03 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.67 64.19 0.48 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -156.12 122.64 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 p -111.27 134.39 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 54.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -139.36 168.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 111.119 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.412 ' H ' HG12 ' A' ' 8' ' ' VAL . 10.1 pt-20 -87.18 100.88 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.2 t -107.33 99.95 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.45 113.76 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.54 147.8 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 85' ' ' SER . 37.8 m-85 -142.46 161.35 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -150.94 127.89 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.942 ' CG2' HG22 ' A' ' 88' ' ' VAL . 32.3 m -149.43 -175.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.558 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.92 169.72 12.99 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.823 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.77 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.8 -12.92 4.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.56 -174.06 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.861 0.362 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD11 ' CG ' ' A' ' 57' ' ' GLU . 46.1 tp -111.24 106.35 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.3 tp -78.85 108.48 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -114.93 135.41 54.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -131.85 172.31 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttp-105 -152.48 142.76 22.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.3 t -111.83 126.71 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mtt-85 -65.42 115.11 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' CD2' HG21 ' A' ' 73' ' ' THR . 23.8 mt -110.89 -178.44 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 1.003 ' HG2' HG23 ' A' ' 31' ' ' VAL . 8.1 ptm180 -152.52 178.15 9.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.27 8.55 3.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.36 -35.9 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.003 HG23 ' HG2' ' A' ' 28' ' ' ARG . 6.2 t -38.0 139.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -112.22 -39.35 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -146.84 -179.95 7.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 27' ' ' LEU . 12.3 mt -140.24 140.39 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' VAL . 11.9 t30 -127.81 102.92 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.502 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 69.7 m95 -79.11 137.89 37.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 42' ' ' GLN . 10.2 mt -136.22 163.82 29.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.832 ' O ' HG12 ' A' ' 41' ' ' VAL . 31.8 ttp85 -152.43 115.27 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.39 26.4 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.27 45.66 6.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.832 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -162.82 147.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -55.27 128.18 32.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 38' ' ' ARG . 31.3 tp -81.87 148.27 28.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.56 166.53 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -108.45 162.55 14.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 t -159.55 175.3 13.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -39.46 -31.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -99.28 -55.87 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.4 m -68.9 139.01 55.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.9 tpt180 -141.67 109.2 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 53' ' ' GLY . 57.9 mt -100.68 105.16 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -86.15 17.28 3.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 105.87 -63.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -118.28 5.91 11.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.39 122.49 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 72.9 t -102.52 134.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 50' ' ' ARG . 30.9 tt0 -136.01 116.56 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -118.59 118.02 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -80.15 141.42 35.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 61' ' ' SER . 1.7 t70 55.0 45.01 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 53.5 p -40.44 162.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.813 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.55 161.59 43.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 111.152 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 -24.23 13.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 73.9 m-20 -85.1 -23.23 28.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -49.84 176.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.19 -154.73 25.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 tp -116.88 95.45 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 37.3 m-85 -75.79 139.45 41.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.92 116.79 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -99.84 126.61 45.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 81' ' ' THR . 17.2 t -117.42 118.82 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 27' ' ' LEU . 21.1 p -104.66 133.17 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -86.7 113.29 22.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 p -127.94 151.88 76.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -2.24 9.85 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -111.88 -10.34 13.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.97 128.12 2.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -67.82 115.18 7.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -84.22 174.22 10.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.496 HG23 HG22 ' A' ' 72' ' ' VAL . 6.2 m -152.19 129.27 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.149 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.496 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.3 m -123.15 120.12 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -92.23 156.9 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.496 ' CE1' ' O ' ' A' ' 82' ' ' THR . 13.9 m-85 -150.2 106.13 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -79.61 108.41 13.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.87 141.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.58 ' HB3' HD22 ' A' ' 14' ' ' LEU . 10.9 t30 -140.25 105.25 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.942 HG22 ' CG2' ' A' ' 15' ' ' VAL . 38.2 t -100.14 115.94 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -160.31 139.77 10.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -25.45 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.32 113.53 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.0 mp -108.58 153.12 42.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 0.39 5.73 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -52.37 166.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.7 -173.12 34.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.14 9.57 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 89.7 p 39.85 42.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.2 m -70.86 98.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -128.88 128.19 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -107.21 119.51 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.24 -148.22 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -81.4 176.8 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.852 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -107.33 177.61 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.66 123.48 1.48 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.7 167.06 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -94.83 112.32 24.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.8 t -104.74 93.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.6 113.04 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 t -82.9 150.08 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' SER . 40.3 m-85 -141.32 174.08 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -162.68 124.04 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.01 ' CG2' HG22 ' A' ' 88' ' ' VAL . 33.2 m -146.68 -174.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.502 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -134.03 170.36 11.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.7 Cg_endo -69.79 94.8 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.51 -6.89 4.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -88.87 -174.11 4.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.669 HD11 ' CG ' ' A' ' 57' ' ' GLU . 45.1 tp -111.05 107.61 17.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 tp -80.12 102.74 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -108.69 128.54 54.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.36 164.6 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 44.9 ttt180 -141.55 144.67 34.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.1 t -120.35 116.06 24.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -60.03 110.0 1.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 54' ' ' GLU . 31.8 mt -98.19 172.31 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.406 ' H ' ' CG2' ' A' ' 31' ' ' VAL . 13.5 mtp85 -127.73 161.1 29.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -13.64 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 31' ' ' VAL . 65.7 m-20 -100.12 -31.69 11.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.5 t -33.04 143.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -119.04 -29.11 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -155.1 177.5 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD11 HD11 ' A' ' 27' ' ' LEU . 6.6 mt -139.61 145.47 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.5 t30 -130.18 101.86 5.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.525 ' CD1' ' CG2' ' A' ' 51' ' ' ILE . 65.0 m95 -78.11 137.53 38.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.0 mt -135.39 160.66 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.785 ' O ' HG12 ' A' ' 41' ' ' VAL . 30.7 ttp180 -151.15 115.0 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 65.24 25.87 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.52 44.63 7.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 38' ' ' ARG . 7.4 p -163.59 153.25 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -58.34 133.29 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.4 tp -84.43 155.87 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.49 152.49 51.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' HG2' ' CG1' ' A' ' 51' ' ' ILE . 1.7 mt-10 -99.82 157.78 16.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -157.18 -178.16 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -42.79 -35.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -96.51 -56.53 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 58' ' ' VAL . 16.7 m -67.42 135.41 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.8 tpt180 -140.56 106.23 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.525 ' CG2' ' CD1' ' A' ' 36' ' ' TRP . 36.1 mt -95.66 105.61 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.1 p -93.14 30.35 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 97.54 -69.73 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.555 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.1 pt-20 -118.8 6.61 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -137.55 117.45 13.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 51' ' ' ILE . 69.4 t -103.16 141.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.669 ' CG ' HD11 ' A' ' 20' ' ' LEU . 28.5 tt0 -138.86 117.21 11.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 49' ' ' THR . 10.0 t -117.39 108.88 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.402 ' HG2' HD13 ' A' ' 20' ' ' LEU . 62.8 mt-30 -74.4 142.05 45.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.9 t0 56.38 42.72 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 51.8 p -41.59 164.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.28 161.17 45.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.699 0.762 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.32 2.86 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.677 2.252 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.99 -21.17 13.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -85.31 -21.1 29.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -47.91 174.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.54 -163.7 27.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.0 tp -110.24 95.26 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.474 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 34.0 m-85 -74.86 137.51 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.11 117.16 14.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 3.1 p -99.11 125.59 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 35' ' ' ASN . 13.0 t -113.98 119.08 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.4 p -105.09 132.45 51.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -95.55 120.14 35.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.8 p -133.49 152.45 79.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -4.12 13.38 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -111.19 -11.97 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.75 120.87 1.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -68.04 146.87 53.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -117.81 173.45 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.8 m -146.72 129.87 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.5 m -122.81 121.27 35.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -93.12 155.46 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.476 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 14.0 m-85 -148.33 109.5 4.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.4 t -81.69 107.44 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.9 t -105.03 148.56 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.172 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.67 108.41 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.01 HG22 ' CG2' ' A' ' 15' ' ' VAL . 47.0 t -102.09 118.76 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -156.39 140.55 16.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.484 ' HB3' ' CG ' ' A' ' 17' ' ' PRO . 9.9 p-10 -76.78 -29.71 56.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.9 23.13 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 94' ' ' SER . 0.2 OUTLIER -45.77 153.64 0.62 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 0.37 5.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.59 ' O ' HD22 ' A' ' 92' ' ' LEU . 98.3 p -166.66 136.47 3.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.53 166.44 36.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -23.75 30.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m -97.51 169.14 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.1 p -120.73 120.85 36.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.439 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -129.26 137.05 50.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -134.36 137.19 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 -62.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -51.9 164.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.9 p -127.59 43.2 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.3 117.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.0 m -150.79 166.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.87 103.7 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -108.14 97.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.06 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.79 113.34 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -83.97 150.82 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 85' ' ' SER . 46.5 m-85 -143.61 167.0 23.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.5 tm? -156.65 127.25 6.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.914 ' CG2' HG22 ' A' ' 88' ' ' VAL . 24.8 m -149.11 -175.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -130.63 169.58 13.26 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.627 0.727 . . . . 0.0 110.813 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.71 91.69 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.58 -7.04 3.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -87.42 -175.5 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 57' ' ' GLU . 47.8 tp -108.97 108.67 19.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.2 tp -80.02 108.14 13.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -114.95 131.27 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.51 174.76 8.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 14.1 ttp-105 -150.63 142.99 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -116.21 125.77 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.3 mtp85 -71.78 114.4 9.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' CD2' HG21 ' A' ' 73' ' ' THR . 74.4 mt -103.51 179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -131.17 -178.17 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -82.26 -6.81 59.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 31' ' ' VAL . 13.9 m-20 -109.4 -31.19 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.4 t -33.49 138.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -112.31 -39.87 4.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -144.28 178.49 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.3 mt -139.02 146.78 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.4 t30 -128.84 108.78 10.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CD1' HG23 ' A' ' 51' ' ' ILE . 66.9 m95 -83.89 132.68 34.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.5 mt -132.28 161.96 32.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.796 ' O ' HG12 ' A' ' 41' ' ' VAL . 39.5 ttp180 -151.2 117.45 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.77 25.81 15.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 47.47 5.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.2 p -166.19 147.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.544 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.4 tp60 -53.06 132.43 37.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD11 ' A' ' 51' ' ' ILE . 26.3 tp -84.26 148.59 26.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.48 149.76 49.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -99.63 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.8 p -161.85 -179.75 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -39.76 -33.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -98.12 -60.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 58' ' ' VAL . 22.3 m -66.74 138.25 57.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.8 tpt180 -141.28 111.01 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.621 HG23 ' CD1' ' A' ' 36' ' ' TRP . 57.3 mt -98.58 101.85 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.3 p -85.34 16.33 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 104.33 -64.01 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.08 -0.0 11.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -135.77 120.11 17.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.584 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 76.1 t -99.08 138.81 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.106 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' CG ' HD11 ' A' ' 20' ' ' LEU . 42.2 tt0 -137.49 116.24 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 49' ' ' THR . 8.9 t -120.9 115.91 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -80.26 147.91 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 1.7 t70 53.44 38.24 27.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 73.8 p -37.83 157.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.421 HG23 ' CG ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -141.03 162.17 49.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 0.0 111.148 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 3.53 2.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.63 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' CG ' HG23 ' A' ' 62' ' ' VAL . 27.9 m-20 -83.53 -24.08 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.2 p -49.17 172.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 -156.15 26.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.8 tp -114.18 98.75 7.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 28.1 m-85 -79.07 142.09 36.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.13 115.64 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 p -97.76 126.69 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' ASN . 12.1 t -117.98 122.56 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.414 HG21 ' CD2' ' A' ' 27' ' ' LEU . 43.9 p -104.18 134.57 47.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -96.19 104.98 16.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -114.82 156.64 44.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.626 0.726 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.17 6.08 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.2 t -113.62 -13.26 12.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.46 -143.09 8.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 p -156.13 111.38 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -87.56 168.19 13.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.7 m -150.55 131.55 14.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.9 m -124.96 123.63 40.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -94.04 159.43 15.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 11.9 m-85 -151.37 109.13 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.7 t -82.48 108.29 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.6 t -106.14 149.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -148.27 105.04 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.914 HG22 ' CG2' ' A' ' 15' ' ' VAL . 39.9 t -99.67 119.62 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -163.87 143.85 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.6 -18.52 30.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.22 108.99 8.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.636 HD23 HD11 ' A' ' 14' ' ' LEU . 5.0 mt -133.31 151.65 77.96 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.63 0.729 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -16.5 37.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -69.58 97.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -41.06 138.04 1.86 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -11.01 30.02 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.404 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.0 m -113.63 151.48 31.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 m -54.88 -58.13 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.451 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 2.1 t -115.9 141.86 47.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 57.5 p -34.82 -37.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -168.19 159.77 33.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -76.5 156.72 32.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.906 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.9 m -112.15 161.04 16.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.67 85.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.2 m -141.65 167.96 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.65 91.96 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.47 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -63.71 107.47 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -77.59 144.65 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -137.55 171.92 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.4 tm? -160.0 128.51 4.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.97 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.5 m -149.92 -175.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -131.53 170.01 12.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.3 Cg_endo -69.74 95.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.669 2.246 . . . . 0.0 112.391 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.2 -7.53 5.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.28 -175.25 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 57' ' ' GLU . 35.3 tp -109.45 109.15 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.0 tp -83.76 104.05 13.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -111.22 129.25 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.67 169.67 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -147.39 138.37 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.7 t -111.6 116.78 31.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -58.59 112.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 54' ' ' GLU . 52.2 mt -101.93 167.85 9.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -127.68 172.82 10.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.41 -7.86 54.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 31' ' ' VAL . 51.2 m-20 -105.82 -32.61 8.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.1 t -32.59 141.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -120.74 -34.06 3.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 34' ' ' ILE . 1.1 t -146.43 179.46 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 33' ' ' SER . 9.6 mt -144.09 142.49 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -127.23 111.52 14.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.534 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 67.4 m95 -87.96 134.9 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -135.26 160.57 37.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.785 ' O ' HG12 ' A' ' 41' ' ' VAL . 24.2 ttp85 -150.88 115.29 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.07 25.17 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 47.75 5.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.785 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -166.35 147.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.38 125.86 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 51' ' ' ILE . 37.7 tp -75.14 150.08 38.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.98 152.78 48.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -100.25 157.04 16.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -154.34 -179.96 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -39.47 -35.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -98.22 -59.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.592 HG23 HG22 ' A' ' 58' ' ' VAL . 22.1 m -65.48 135.46 55.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 9.0 tpt180 -140.17 107.77 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.557 HG12 HG22 ' A' ' 56' ' ' VAL . 42.4 mt -96.47 102.63 13.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.4 p -85.08 15.48 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 107.79 -65.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.6 pt-20 -113.52 -3.6 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -132.2 130.41 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 HG12 ' A' ' 51' ' ' ILE . 69.3 t -112.85 126.26 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 20' ' ' LEU . 43.3 tt0 -125.82 118.56 25.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.592 HG22 HG23 ' A' ' 49' ' ' THR . 10.5 t -118.15 114.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -79.84 141.4 36.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 t0 58.53 40.25 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.2 p -38.81 159.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.21 161.54 50.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.698 0.761 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.63 2.67 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.64 2.227 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.59 -24.57 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -83.13 -22.52 33.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.9 p -51.45 173.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.48 -145.09 13.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD11 ' HD2' ' A' ' 83' ' ' TYR . 2.5 tm? -125.03 100.83 6.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 33.2 m-85 -82.72 141.01 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.5 111.67 7.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 1.6 p -96.52 127.43 42.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 80' ' ' ASP . 17.4 t -118.48 119.2 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 p -102.52 130.21 49.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -88.57 120.13 29.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.7 p -135.98 152.66 76.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 0.01 6.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -114.09 -6.44 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.71 130.15 2.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 p -74.52 121.69 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.7 t0 -91.87 -179.64 5.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.466 HG23 HG22 ' A' ' 72' ' ' VAL . 14.7 m -156.03 134.2 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.2 m -127.76 122.93 34.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.769 ' HD2' HD11 ' A' ' 68' ' ' LEU . 93.9 m-85 -93.48 160.73 14.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 82' ' ' THR . 12.7 m-85 -154.06 106.0 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -78.63 106.85 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.7 t -102.63 141.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -143.27 105.47 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.97 HG22 ' CG2' ' A' ' 15' ' ' VAL . 40.0 t -100.76 118.94 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -162.51 139.02 7.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -52.41 -26.1 11.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.606 ' C ' HD12 ' A' ' 92' ' ' LEU . . . -82.99 130.02 35.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.606 HD12 ' C ' ' A' ' 91' ' ' ALA . 5.7 mp -138.31 145.74 48.47 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.741 . . . . 0.0 110.859 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.647 2.231 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -72.1 -50.32 29.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.05 118.21 7.3 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.86 29.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t -93.8 105.94 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.805 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 m -52.44 131.96 34.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -67.59 94.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -139.75 162.86 34.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 -169.02 2.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -110.52 42.16 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 p -135.17 146.14 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.09 -57.83 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.67 165.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -100.29 122.5 43.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 83' ' ' TYR . 94.4 t -110.26 93.14 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.23 115.58 4.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -83.36 147.75 27.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -142.03 167.11 22.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.8 tm? -155.17 126.25 7.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.903 ' CG2' HG22 ' A' ' 88' ' ' VAL . 26.8 m -147.61 -174.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.27 170.19 11.97 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.6 Cg_endo -69.73 92.23 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.28 -9.57 3.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.97 -174.54 5.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' A' ' 57' ' ' GLU . 35.9 tp -110.1 108.22 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 59.5 tp -81.03 101.98 9.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -109.22 134.22 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.74 172.19 11.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -150.12 140.35 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -113.35 121.11 43.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 20.8 ptt85 -65.8 115.51 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.548 ' CD2' HG21 ' A' ' 73' ' ' THR . 61.8 mt -111.83 -175.25 2.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.951 ' HG2' HG23 ' A' ' 31' ' ' VAL . 8.9 ptm180 -149.31 -179.06 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.22 9.11 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.25 -34.36 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.951 HG23 ' HG2' ' A' ' 28' ' ' ARG . 5.5 t -39.32 134.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -105.53 -42.03 5.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.99 178.01 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 mt -138.23 142.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 72' ' ' VAL . 3.3 t30 -128.76 102.85 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CD1' HG23 ' A' ' 51' ' ' ILE . 69.3 m95 -77.46 135.61 38.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 mt -132.2 164.5 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.828 ' O ' HG12 ' A' ' 41' ' ' VAL . 16.7 ttp85 -153.14 114.12 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.35 25.6 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.13 45.58 5.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.1 p -164.08 150.45 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.411 HE22 ' ND2' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -55.93 128.64 36.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' HG ' HD11 ' A' ' 51' ' ' ILE . 24.2 tp -81.76 148.12 29.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.33 160.09 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.3 mt-10 -108.89 161.61 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 p -159.6 -177.51 6.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -40.52 -35.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -97.82 -59.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.604 HG23 HG22 ' A' ' 58' ' ' VAL . 25.3 m -67.32 142.93 56.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' GLU . 14.6 tpt180 -147.51 118.8 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.563 HG23 ' CD1' ' A' ' 36' ' ' TRP . 42.9 mt -105.95 102.96 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.0 p -83.56 11.6 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.45 -61.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.1 pt-20 -114.98 -2.38 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -137.81 132.46 32.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 75.8 t -110.93 140.85 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CG ' HD11 ' A' ' 20' ' ' LEU . 32.7 tt0 -139.48 119.73 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.604 HG22 HG23 ' A' ' 49' ' ' THR . 8.6 t -121.66 112.21 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -75.85 143.72 41.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.3 t70 53.5 43.92 30.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.1 p -41.11 163.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -144.2 161.16 46.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.159 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.371 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.45 -25.15 13.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 75.2 m-20 -83.76 -24.14 31.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 81.6 p -47.76 174.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.04 -155.64 26.61 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.0 tp -116.67 94.5 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 44.9 m-85 -76.35 137.86 40.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.74 116.78 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.409 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.6 p -97.31 125.03 41.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.1 t -114.85 119.15 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.548 HG21 ' CD2' ' A' ' 27' ' ' LEU . 43.0 p -105.85 135.03 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.4 m -90.78 112.17 23.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -126.62 151.75 73.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.17 8.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -113.05 -11.35 13.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.0 128.23 2.39 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -67.38 116.66 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' OD2' ' NH2' ' A' ' 26' ' ' ARG . 2.1 t70 -86.19 172.3 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -151.66 133.97 15.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.2 m -128.84 116.77 19.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 10' ' ' VAL . 82.8 m-85 -89.55 158.04 17.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.5 m-85 -149.84 106.13 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.8 t -79.7 104.56 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.23 145.52 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -144.72 105.03 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.903 HG22 ' CG2' ' A' ' 15' ' ' VAL . 25.1 t -99.62 117.59 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -159.93 141.6 12.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -62.42 -15.15 47.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.82 106.16 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 16' ' ' HIS . 17.4 mt -131.81 151.52 78.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' SER . 54.1 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' PRO . 11.3 m -36.31 -46.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -177.96 142.24 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 164.62 33.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.334 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -172.65 160.05 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.4 t -114.22 160.86 18.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 60.35 47.76 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -102.56 -41.57 6.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -119.29 173.42 15.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.6 m -35.41 131.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -109.46 157.32 19.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 144.51 16.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.82 161.14 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.099 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.05 117.53 30.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.6 t -108.5 92.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.6 117.47 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -85.22 146.71 26.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -143.35 156.79 44.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -147.05 128.21 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.811 ' N ' HD13 ' A' ' 14' ' ' LEU . 29.8 m -148.42 -175.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -130.59 169.58 13.25 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.69 91.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.51 -12.59 3.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -82.64 -176.16 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 57' ' ' GLU . 43.6 tp -108.74 109.32 20.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.8 tp -82.46 107.28 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -113.72 136.12 53.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -131.27 170.54 14.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -148.59 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.1 t -116.03 131.63 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 26' ' ' ARG . 8.0 mtm105 -71.07 109.51 5.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 mt -96.95 168.06 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' H ' ' CG2' ' A' ' 31' ' ' VAL . 19.6 mtp85 -127.01 166.79 16.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -12.86 61.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 31' ' ' VAL . 57.5 m-20 -103.93 -28.93 11.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' CG2' ' H ' ' A' ' 28' ' ' ARG . 3.2 t -34.34 142.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -117.11 -35.13 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -149.95 178.36 8.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -139.4 142.49 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.474 ' ND2' HE22 ' A' ' 42' ' ' GLN . 2.3 t30 -125.49 106.03 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.599 ' CD1' HG23 ' A' ' 51' ' ' ILE . 62.9 m95 -81.18 131.77 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 41' ' ' VAL . 9.3 mt -129.51 164.26 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.794 ' O ' HG12 ' A' ' 41' ' ' VAL . 40.7 ttp180 -152.73 116.22 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 60.58 25.76 15.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.37 48.89 4.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 38' ' ' ARG . 4.8 p -168.13 153.55 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.474 HE22 ' ND2' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -58.8 128.73 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.561 ' HG ' HD11 ' A' ' 51' ' ' ILE . 29.8 tp -79.75 153.93 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.68 151.0 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.7 mt-10 -100.85 159.46 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -157.63 178.94 9.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -37.76 -35.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -96.78 -59.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.613 HG23 HG22 ' A' ' 58' ' ' VAL . 11.7 m -63.58 140.68 58.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.197 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 57' ' ' GLU . 12.6 tpt180 -144.16 110.47 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.599 HG23 ' CD1' ' A' ' 36' ' ' TRP . 61.5 mt -101.8 103.42 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.2 p -87.43 14.26 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.86 -61.67 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -120.33 -4.35 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -131.56 118.34 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 89.0 t -99.7 144.4 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 50' ' ' ARG . 53.9 tt0 -142.66 117.37 9.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.613 HG22 HG23 ' A' ' 49' ' ' THR . 5.7 t -119.53 110.07 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -75.72 139.81 42.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.1 t70 58.17 43.73 20.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.3 p -40.27 162.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.55 160.9 46.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 111.169 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.53 -18.33 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.07 -14.98 32.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 m -52.04 173.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.52 -167.65 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.7 tp -107.74 98.08 7.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 27.5 m-85 -78.69 140.7 38.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.91 120.14 14.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 6.9 p -100.19 125.2 46.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.2 t -115.23 118.6 59.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -102.64 130.35 49.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.6 m -92.14 113.13 25.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 64.7 p -122.87 154.8 64.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 m -119.02 -7.87 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.31 -145.55 12.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 p -157.25 116.75 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -90.33 168.28 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 m -150.95 122.26 7.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.473 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -116.48 120.02 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -92.05 159.43 15.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 82' ' ' THR . 15.1 m-85 -152.56 107.38 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -82.28 104.3 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.3 t -99.87 149.42 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.553 ' HB3' HD22 ' A' ' 14' ' ' LEU . 12.6 t30 -149.17 105.14 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.798 HG22 ' CG2' ' A' ' 15' ' ' VAL . 22.0 t -99.49 120.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -161.76 141.3 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -14.0 18.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -79.94 115.05 19.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 16' ' ' HIS . 13.5 mt -137.35 150.11 67.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.31 13.76 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 m -39.04 -53.64 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 111.28 -173.91 16.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.63 30.36 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 m -147.55 127.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 m -123.77 110.5 14.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.54 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m -90.07 -57.36 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -59.27 142.51 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.5 -174.79 13.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -41.51 144.88 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.853 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 m -128.74 130.04 46.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.18 113.84 2.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 36.0 m -139.33 163.59 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.1 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.31 103.78 8.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.0 t -103.69 99.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -64.03 116.48 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -85.56 145.21 27.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -139.56 164.51 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 15' ' ' VAL . 1.4 tm? -153.18 125.56 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.935 ' CG2' HG22 ' A' ' 88' ' ' VAL . 34.5 m -147.76 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -132.8 170.23 11.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.848 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.78 91.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.656 2.238 . . . . 0.0 112.315 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.14 -12.37 3.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -82.4 -174.41 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' A' ' 57' ' ' GLU . 37.8 tp -110.87 106.38 15.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 tp -78.95 103.61 9.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -111.17 131.57 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -126.46 167.67 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . 14.0 ttp-105 -148.11 139.91 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.3 t -109.07 129.27 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -68.59 114.59 7.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' CD2' HG21 ' A' ' 73' ' ' THR . 44.9 mt -109.82 -174.85 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.976 ' HG2' HG23 ' A' ' 31' ' ' VAL . 1.7 ptm85 -153.51 -179.92 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -79.27 11.53 2.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' VAL . 38.4 m-20 -119.97 -35.26 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.976 HG23 ' HG2' ' A' ' 28' ' ' ARG . 6.0 t -37.2 139.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -116.02 -31.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 m -152.41 177.06 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 mt -140.52 143.02 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' VAL . 24.7 t30 -129.73 104.64 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.469 ' CE2' HG23 ' A' ' 56' ' ' VAL . 73.7 m95 -80.1 140.97 36.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.0 mt -140.4 166.03 25.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.863 ' O ' HG12 ' A' ' 41' ' ' VAL . 8.1 ttp-105 -154.15 118.13 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 59.11 25.4 13.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.71 43.62 6.76 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 38' ' ' ARG . 5.2 p -159.68 150.34 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.486 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -57.1 126.62 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.589 ' HG ' HD11 ' A' ' 51' ' ' ILE . 57.7 tp -76.28 148.81 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.38 156.41 44.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' CG ' HD12 ' A' ' 51' ' ' ILE . 1.9 mt-10 -103.98 164.57 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -160.32 -176.61 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.76 -31.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -102.04 -56.95 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 HG22 ' A' ' 58' ' ' VAL . 28.6 m -67.47 140.08 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -145.4 114.88 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 56' ' ' VAL . 40.0 mt -102.74 109.33 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 p -91.07 15.49 11.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.521 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 104.98 -62.34 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -117.57 3.05 12.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -141.22 125.75 17.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 51' ' ' ILE . 76.4 t -109.76 134.5 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' CG ' HD11 ' A' ' 20' ' ' LEU . 28.2 tt0 -133.37 118.7 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.603 HG22 HG23 ' A' ' 49' ' ' THR . 7.7 t -118.76 114.02 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -76.19 147.3 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.0 t70 48.09 46.65 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 57.9 p -42.4 166.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -145.68 161.29 41.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 111.137 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.55 2.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.64 -25.76 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 62' ' ' VAL . 66.2 m-20 -83.3 -23.01 32.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.1 p -50.89 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.27 -156.09 25.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 tp -115.95 93.21 4.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.965 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -74.08 147.48 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -143.69 117.2 9.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.402 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 5.1 p -100.11 126.0 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 35' ' ' ASN . 4.8 t -116.68 120.36 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.51 HG21 ' CD2' ' A' ' 27' ' ' LEU . 23.7 p -104.99 136.29 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -92.66 112.0 23.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.6 p -127.57 151.43 75.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.88 7.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -112.96 -10.99 13.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.85 130.1 2.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 p -72.12 117.12 13.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -90.07 168.47 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.6 m -145.47 136.55 24.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.527 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -128.46 117.62 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -90.06 158.61 17.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE1' ' O ' ' A' ' 82' ' ' THR . 17.0 m-85 -150.7 107.74 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 t -81.94 98.87 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -95.62 146.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -145.97 104.98 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.935 HG22 ' CG2' ' A' ' 15' ' ' VAL . 42.0 t -99.86 117.49 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -160.35 142.07 12.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -27.81 67.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.491 ' C ' HD12 ' A' ' 92' ' ' LEU . . . -86.52 127.12 34.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 91' ' ' ALA . 6.5 mp -121.55 152.09 57.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.68 33.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 p -49.97 156.31 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.22 149.55 9.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -4.78 14.73 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.64 2.227 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.1 p -55.21 138.28 45.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 p -157.74 153.14 26.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.8 m 37.3 51.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -61.59 -41.38 97.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.19 -99.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -117.55 131.28 56.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t -102.28 96.39 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.6 102.35 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 m -125.31 170.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' OE1' ' NH1' ' A' ' 26' ' ' ARG . 5.4 pt-20 -95.28 114.41 26.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.559 HG22 ' HB2' ' A' ' 83' ' ' TYR . 53.0 t -110.52 92.92 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.71 115.49 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -84.84 149.51 25.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' SER . 38.9 m-85 -141.89 168.48 19.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 15' ' ' VAL . 2.9 tm? -155.73 128.02 7.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.987 ' CG2' HG22 ' A' ' 88' ' ' VAL . 28.4 m -150.48 -175.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.9 170.17 11.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.8 Cg_endo -69.76 98.21 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.95 -9.73 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.509 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.41 -174.02 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.9 tp -110.0 110.27 21.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.09 108.75 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 10.0 mt-30 -114.21 131.62 56.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -125.0 164.23 20.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 12.2 ttp85 -142.12 137.78 31.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.1 t -113.43 121.13 43.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 26' ' ' ARG . 14.8 ptt180 -65.13 112.57 3.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD23 HG21 ' A' ' 73' ' ' THR . 48.9 mt -99.21 -176.67 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -137.82 -178.89 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -2.49 58.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' VAL . 12.2 m-20 -113.1 -28.51 7.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.528 HG11 HD22 ' A' ' 27' ' ' LEU . 4.0 t -34.6 145.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -118.77 -34.13 4.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -151.49 178.64 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 mt -140.89 139.4 34.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -124.92 108.76 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.481 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 67.7 m95 -83.42 139.15 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 42' ' ' GLN . 9.1 mt -137.43 164.91 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.775 ' O ' HG12 ' A' ' 41' ' ' VAL . 39.7 ttp180 -152.92 116.31 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t70 60.38 26.12 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.09 43.62 7.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.775 HG12 ' O ' ' A' ' 38' ' ' ARG . 2.9 p -160.4 146.45 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.511 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -54.72 128.96 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HG ' HD11 ' A' ' 51' ' ' ILE . 25.3 tp -80.65 148.19 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.3 150.17 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.598 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.4 mt-10 -95.11 156.72 16.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -152.07 177.06 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -40.8 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -101.34 -57.37 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.513 HG23 HG22 ' A' ' 58' ' ' VAL . 45.6 m -67.57 141.19 56.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLU . 13.8 tpt180 -143.74 114.35 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.598 HD12 ' CG ' ' A' ' 45' ' ' GLU . 48.9 mt -100.61 106.68 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.6 p -90.52 14.94 11.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 110.43 -69.12 0.21 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.546 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -114.46 1.12 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -133.94 127.3 32.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG23 ' CZ2' ' A' ' 36' ' ' TRP . 77.0 t -109.03 130.2 62.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' ARG . 41.1 tt0 -127.99 120.45 27.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.513 HG22 HG23 ' A' ' 49' ' ' THR . 6.9 t -121.1 115.22 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -77.49 147.11 36.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 50.0 44.32 25.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 60.1 p -40.57 161.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.35 161.52 41.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.675 0.75 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.53 4.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.397 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.0 -16.46 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.85 -25.23 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -47.52 175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.26 -149.91 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.8 100.03 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -82.0 137.96 35.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.45 117.92 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.4 p -98.94 126.63 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -115.58 116.41 52.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.592 HG21 HD23 ' A' ' 27' ' ' LEU . 18.1 p -103.0 129.7 49.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -91.15 123.17 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 p -133.28 151.28 77.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.63 5.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 t -119.84 -4.36 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.3 125.04 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 p -71.88 155.16 40.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -122.73 179.63 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.4 m -151.89 130.78 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.55 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -126.36 115.95 20.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.559 ' HB2' HG22 ' A' ' 10' ' ' VAL . 87.9 m-85 -88.36 157.79 18.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 82' ' ' THR . 19.8 m-85 -149.57 108.78 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.4 t -82.05 110.45 17.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -107.81 148.67 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -146.93 105.36 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.987 HG22 ' CG2' ' A' ' 15' ' ' VAL . 41.8 t -101.38 115.41 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -158.97 140.86 13.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -58.2 -15.61 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.45 111.09 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 14' ' ' LEU . 11.4 mt -137.7 150.45 68.07 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.633 0.73 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.66 30.65 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.5 t -64.74 107.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 96' ' ' PRO . . . 137.32 112.05 1.1 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 95' ' ' GLY . 53.2 Cg_endo -69.76 -37.65 8.87 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.768 2.312 . . . . 0.0 112.29 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 m -82.11 140.54 33.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.8 t -102.34 123.93 47.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -123.41 -50.43 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 t -61.63 96.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.76 2.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -141.51 122.32 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -85.84 134.86 33.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.69 135.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -144.08 172.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -94.4 114.83 26.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.565 HG22 ' HB2' ' A' ' 83' ' ' TYR . 85.1 t -113.58 98.8 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -63.19 117.71 6.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -84.59 147.45 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' SER . 36.3 m-85 -143.07 160.31 40.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.844 HD11 HD23 ' A' ' 92' ' ' LEU . 1.4 tm? -151.85 123.25 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.964 ' CG2' HG22 ' A' ' 88' ' ' VAL . 35.7 m -142.69 -174.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.703 ' HB3' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -131.94 169.54 13.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.71 . . . . 0.0 110.811 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 53.4 Cg_endo -69.84 98.18 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.617 2.211 . . . . 0.0 112.345 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.85 -7.35 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.74 -174.4 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 57' ' ' GLU . 44.9 tp -109.79 109.33 19.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.9 105.31 12.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -110.53 135.44 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -128.08 172.61 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 38.6 ttp180 -151.45 139.5 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 t -111.33 145.62 38.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 41.0 mtt85 -80.08 117.32 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD22 HG11 ' A' ' 31' ' ' VAL . 37.0 mt -114.85 178.84 4.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.994 ' HG2' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -154.55 170.88 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -67.73 -2.24 6.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.74 -36.17 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.994 HG23 ' HG2' ' A' ' 28' ' ' ARG . 2.8 t -38.33 139.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -117.67 -30.63 5.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -152.21 178.78 9.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -143.8 139.13 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -122.94 105.76 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.512 ' CD1' HG23 ' A' ' 51' ' ' ILE . 65.3 m95 -81.9 135.88 35.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 42' ' ' GLN . 8.6 mt -136.29 159.68 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.771 ' O ' HG12 ' A' ' 41' ' ' VAL . 29.9 ttp85 -150.12 115.72 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.96 26.0 14.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.49 47.62 5.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 38' ' ' ARG . 7.6 p -166.99 150.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.7 tp60 -56.13 131.4 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 51' ' ' ILE . 38.2 tp -81.05 147.01 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.7 145.28 50.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.604 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.7 mt-10 -96.94 154.93 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' ASN . 83.0 p -151.03 -177.81 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.3 m-20 -37.66 -40.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 59' ' ' GLN . 28.2 mtt-85 -94.55 -61.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.6 HG23 HG22 ' A' ' 58' ' ' VAL . 22.6 m -58.44 137.73 57.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -143.66 113.02 6.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.604 HD12 ' CG ' ' A' ' 45' ' ' GLU . 49.0 mt -102.47 100.91 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.2 p -82.7 14.14 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' O ' ' NE1' ' A' ' 36' ' ' TRP . . . 103.85 -61.7 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.9 pt-20 -115.46 -3.05 12.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -137.09 122.27 19.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 51' ' ' ILE . 75.2 t -104.3 140.2 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.658 ' CG ' HD11 ' A' ' 20' ' ' LEU . 30.5 tt0 -138.1 119.55 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.6 HG22 HG23 ' A' ' 49' ' ' THR . 6.9 t -120.86 111.36 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' ' CD ' ' A' ' 48' ' ' ARG . 75.9 mt-30 -75.21 150.01 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' SER . 2.1 t70 49.61 41.72 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 54.3 p -40.63 162.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.0 161.44 45.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.739 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 3.23 2.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.2 -26.76 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.13 -19.25 40.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 p -51.66 177.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.55 -152.67 23.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.9 tp -119.44 100.34 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 25.3 m-85 -80.83 137.17 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.72 120.22 19.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 4.1 p -102.33 125.12 48.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.442 HG22 HG23 ' A' ' 81' ' ' THR . 6.6 t -117.11 117.72 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 43.6 p -97.81 146.19 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.3 m -103.42 100.19 10.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.5 p -116.55 151.65 47.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.688 0.756 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.37 8.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.6 p -112.31 -13.73 13.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.76 125.7 2.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.3 p -71.32 119.81 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.86 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -90.65 174.03 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.442 HG23 HG22 ' A' ' 72' ' ' VAL . 8.6 m -146.78 133.15 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.415 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -125.72 121.43 33.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.565 ' HB2' HG22 ' A' ' 10' ' ' VAL . 91.7 m-85 -92.88 154.66 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' O ' ' A' ' 24' ' ' ARG . 19.5 m-85 -148.04 106.83 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.4 t -77.99 111.31 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.0 t -109.53 139.78 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -142.35 106.44 4.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.964 HG22 ' CG2' ' A' ' 15' ' ' VAL . 40.1 t -100.16 118.37 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -163.73 136.67 5.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -21.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.63 113.9 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 14' ' ' LEU . 6.0 mt -135.54 146.9 59.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.2 3.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.8 p -163.36 143.71 8.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.55 -169.86 45.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 165.87 29.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.405 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.4 p -84.28 124.82 31.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.812 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -59.2 103.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -149.91 143.85 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -68.22 120.99 15.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.7 -177.56 41.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -109.14 -52.45 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 p -144.34 146.68 32.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.9 127.98 9.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.56 159.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -109.54 113.98 27.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.9 t -105.68 91.63 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.99 113.79 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -82.64 150.41 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' SER . 39.0 m-85 -143.97 166.64 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.7 OUTLIER -155.67 124.46 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.887 ' CG2' HG22 ' A' ' 88' ' ' VAL . 26.8 m -145.55 -174.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.491 ' CB ' ' HD2' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -131.09 169.88 12.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.845 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD2' ' CB ' ' A' ' 16' ' ' HIS . 54.1 Cg_endo -69.79 94.86 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.37 -12.47 4.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -82.34 -175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 tp -109.82 109.79 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.8 tp -82.52 104.87 13.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.88 128.03 56.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -124.08 167.05 14.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' O ' ' CE2' ' A' ' 84' ' ' PHE . 23.7 ttt180 -146.08 143.35 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.8 t -117.3 129.25 55.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -68.35 112.29 5.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 54' ' ' GLU . 29.2 mt -100.38 170.53 8.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -124.46 178.79 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.51 -3.9 58.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' VAL . 7.2 m-20 -111.15 -30.63 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.8 t -33.9 140.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -116.25 -35.93 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.82 178.02 8.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' CG2' ' SG ' ' A' ' 71' ' ' CYS . 9.6 mt -141.58 141.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -127.07 102.11 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' CZ2' HG23 ' A' ' 56' ' ' VAL . 64.3 m95 -77.62 138.7 39.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 42' ' ' GLN . 14.5 mt -135.22 159.19 42.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.529 ' HD3' ' CE2' ' A' ' 69' ' ' TYR . 22.9 ttp85 -150.36 116.12 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 62.94 24.99 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.8 47.71 5.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -167.17 146.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.093 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.545 ' HA ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -54.61 128.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.1 tp -78.71 158.64 28.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.28 150.32 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' CG ' HD12 ' A' ' 51' ' ' ILE . 2.0 mt-10 -98.55 154.61 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ASN . 1.6 m -156.6 177.36 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -35.58 -35.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.2 mtm-85 -97.27 -61.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.674 HG23 HG22 ' A' ' 58' ' ' VAL . 6.4 m -64.8 138.09 58.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' GLU . 15.1 tpt85 -141.68 110.1 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 56' ' ' VAL . 36.8 mt -102.32 102.83 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -86.58 17.56 3.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' H ' HG22 ' A' ' 51' ' ' ILE . . . 108.3 -66.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 27' ' ' LEU . 3.4 pt-20 -116.85 4.88 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -138.58 123.91 19.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.588 HG22 HG12 ' A' ' 51' ' ' ILE . 79.8 t -106.67 135.54 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' ARG . 29.1 tt0 -134.31 118.14 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG22 HG23 ' A' ' 49' ' ' THR . 11.5 t -118.8 112.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -77.5 140.51 39.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' SER . 3.2 t70 59.6 41.12 19.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 58.2 p -39.21 160.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.38 161.54 46.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.581 0.705 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.24 2.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.49 -26.41 12.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -83.31 -24.47 32.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.6 p -49.95 168.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.59 -158.86 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.37 94.82 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 38' ' ' ARG . 38.0 m-85 -76.0 136.39 39.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.24 117.77 13.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -99.7 130.32 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -118.21 116.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.437 HG21 ' CD2' ' A' ' 27' ' ' LEU . 40.5 p -100.59 131.58 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.59 118.86 35.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.0 p -123.53 155.16 66.24 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.705 0.764 . . . . 0.0 110.809 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -0.67 7.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 m -118.06 -11.05 10.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.19 -146.82 12.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 p -157.51 145.55 19.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -123.74 165.21 17.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.1 m -144.9 128.77 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 1.1 m -121.67 120.44 34.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.03 160.96 14.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 82' ' ' THR . 14.1 m-85 -153.76 106.46 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.1 t -79.33 105.76 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.6 t -103.05 151.58 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.47 ' HB3' HD22 ' A' ' 14' ' ' LEU . 1.9 t30 -151.15 105.85 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.887 HG22 ' CG2' ' A' ' 15' ' ' VAL . 27.6 t -99.94 119.92 48.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -164.0 139.04 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -23.57 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.565 ' C ' HD12 ' A' ' 92' ' ' LEU . . . -83.28 129.96 35.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.565 HD12 ' C ' ' A' ' 91' ' ' ALA . 6.4 mp -135.51 147.84 63.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -14.3 36.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.1 p -120.9 108.15 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.51 -104.64 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.34 32.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -106.31 -47.91 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -98.96 120.46 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 -179.999 . . . . . . . . 0 0 . 1 stop_ save_