data_2dmk_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 2dmk _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 ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.596 0.712 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.93 26.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -54.34 139.45 56.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 127.73 15.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 160.12 50.87 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -113.48 101.04 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.2 mt -70.8 103.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -76.37 124.79 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.85 -23.18 24.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.92 -25.9 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 mt -91.73 -28.89 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.6 p -65.56 145.53 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -121.69 156.56 32.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -126.37 126.29 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' HIS . 2.9 t -122.42 166.46 14.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.489 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.2 p-80 -34.66 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 11.3 p30 -121.06 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.71 136.55 15.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CD1' HG23 ' A' ' 115' ' ' THR . 71.7 mt -132.25 135.49 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -111.43 102.66 11.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 36' ' ' HIS . 60.3 t -89.07 137.35 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.431 ' N ' HG12 ' A' ' 35' ' ' VAL . 14.0 m-70 -115.54 127.41 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 26.2 p90 -120.86 123.61 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -101.42 136.04 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -135.22 151.18 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -91.61 -38.43 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.74 99.89 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.36 19.76 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.93 -40.56 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 -39.04 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 48' ' ' TYR . 60.3 mt -52.73 114.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -76.36 -26.36 55.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.1 p -171.51 152.4 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' HD12 ' A' ' 45' ' ' ILE . 10.0 m-85 -100.9 156.44 17.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' CG ' HG22 ' A' ' 73' ' ' ILE . 28.7 tt0 -129.81 130.45 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 tp -104.43 129.05 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -126.69 114.36 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -127.51 153.7 46.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -158.07 147.46 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.512 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 94.8 mt -72.77 129.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.52 ' CD2' HD11 ' A' ' 94' ' ' ILE . 39.6 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 49' ' ' GLU . 5.3 mp -136.02 139.28 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 82' ' ' TYR . 70.4 t -131.87 89.65 38.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 59.71 40.43 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 31.1 mt -104.75 107.63 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -116.67 36.28 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.5 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 18.9 pm0 -134.7 179.12 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.446 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.6 m120 -105.04 13.55 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -167.85 118.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE2' HG12 ' A' ' 74' ' ' VAL . 6.1 t80 -116.0 123.65 48.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -84.09 112.63 20.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.0 t -82.47 127.92 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -112.71 146.6 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.16 46.27 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' CZ ' ' A' ' 93' ' ' TYR . 20.5 mt -112.27 -179.68 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 110.95 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' NE2' HD11 ' A' ' 54' ' ' ILE . 51.0 mt-30 -116.22 139.49 50.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 p -61.44 140.82 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.16 61.54 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -146.93 143.28 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -73.61 146.86 44.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.512 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 13.6 m-85 -149.88 116.11 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.52 HD11 ' CD2' ' A' ' 55' ' ' PHE . 55.1 mt -92.86 125.25 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.34 144.72 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 mt -142.93 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.432 HG21 ' CE3' ' A' ' 37' ' ' TRP . 71.4 t -86.47 121.92 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -115.03 109.17 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.58 138.21 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.3 mt -125.9 133.51 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -137.42 -176.57 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.1 -72.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.76 -136.29 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.9 p -144.04 152.79 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -130.74 114.32 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.52 120.57 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.9 p -79.03 170.29 16.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.71 151.07 97.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.382 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.2 m -104.44 109.52 21.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -73.52 134.62 43.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 67.3 mt -145.82 141.57 28.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -118.67 151.7 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 33' ' ' ILE . 11.6 p -90.78 171.86 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 39.0 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.607 0.718 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 132.79 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -51.89 140.86 29.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.83 11.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 141.64 45.98 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.85 107.4 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 35' ' ' VAL . 74.2 mt -71.56 110.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -76.86 103.84 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.47 -36.69 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.29 -35.17 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -85.78 -22.9 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 m -57.95 157.18 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -140.85 141.87 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.5 t -131.79 161.26 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 4.4 p-80 -35.59 -70.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.493 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 33.8 p30 -118.83 28.73 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -147.03 149.0 32.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.421 ' CD1' HG23 ' A' ' 115' ' ' THR . 63.3 mt -150.93 134.01 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 m -115.42 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG23 ' CG ' ' A' ' 95' ' ' PHE . 98.4 t -105.17 120.44 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 5.8 m170 -100.78 124.15 46.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.409 ' CE3' HG22 ' A' ' 97' ' ' VAL . 29.0 p90 -118.46 142.02 47.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 39' ' ' SER . 3.2 tp -113.38 141.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 38' ' ' ILE . 3.3 t -138.8 155.13 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.85 -32.32 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -133.69 99.01 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -111.58 -5.67 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.03 -24.86 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -88.62 -44.34 10.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mt -49.21 118.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -62.96 -41.94 99.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -165.84 159.92 16.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.68 155.71 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' HG3' ' CG2' ' A' ' 73' ' ' ILE . 4.5 tp10 -132.17 125.52 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 tp -92.64 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -145.72 114.06 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 30.3 p90 -137.47 165.43 26.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -168.43 147.29 4.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.25 114.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.505 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 2.5 mpp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CG2' ' HG3' ' A' ' 49' ' ' GLU . 4.2 mp -123.84 144.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 74.8 t -132.92 93.56 23.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 179.81 3.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 63.77 46.98 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 29.6 mt -107.58 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -111.41 42.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.99 170.12 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -97.24 15.39 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -172.35 120.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 4.1 t80 -112.34 114.97 27.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.1 m -78.7 112.55 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.64 112.46 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -100.82 143.26 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.25 40.8 3.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD21 ' CE1' ' A' ' 93' ' ' TYR . 41.2 mt -102.46 171.57 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.66 137.45 32.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 p -71.04 147.83 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.74 56.61 6.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 92' ' ' ARG . 47.1 m -146.17 151.0 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 111.169 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.429 ' N ' HG23 ' A' ' 91' ' ' THR . 20.1 mtt85 -73.76 150.07 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.462 ' CE1' HD21 ' A' ' 87' ' ' LEU . 18.2 m-85 -153.7 119.69 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 95' ' ' PHE . 64.9 mt -94.81 155.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 97.4 m-85 -141.24 143.4 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 54.5 mt -146.92 105.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.409 HG22 ' CE3' ' A' ' 37' ' ' TRP . 66.0 t -84.24 130.4 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -123.06 114.48 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.89 131.3 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.45 ' N ' HD13 ' A' ' 100' ' ' ILE . 4.6 mp -121.06 145.28 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -151.12 -175.78 5.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -33.55 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.97 -57.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 -130.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -154.78 154.14 32.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -139.22 121.32 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -95.18 136.95 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -91.93 176.56 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.84 151.1 95.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 128.8 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.2 m -107.56 111.3 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -72.86 134.72 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 95' ' ' PHE . 91.8 mt -141.88 140.99 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -121.73 140.66 52.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 33' ' ' ILE . 47.4 p -86.4 175.24 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 106' ' ' ARG . 54.0 Cg_endo -69.79 123.49 10.14 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -40.42 134.32 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.6 67.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -113.15 100.0 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.44 110.67 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' CZ ' HD11 ' A' ' 25' ' ' LEU . 16.7 mmm-85 -78.61 120.29 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.83 -13.95 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -84.95 -25.87 27.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD11 ' CZ ' ' A' ' 22' ' ' ARG . 17.1 mt -96.12 -26.45 15.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.78 129.47 39.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -103.13 167.15 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.98 135.27 41.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.7 m -137.84 155.45 48.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.8 p-80 -36.12 -68.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 17.6 t70 -116.14 39.11 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -161.55 148.49 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.3 mt -156.73 126.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.417 HG23 ' NE2' ' A' ' 36' ' ' HIS . 3.7 m -105.31 119.2 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 95' ' ' PHE . 98.4 t -106.38 116.64 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.417 ' NE2' HG23 ' A' ' 34' ' ' THR . 7.4 m170 -99.09 123.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -116.21 137.38 52.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tp -114.97 133.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.4 p -134.41 150.74 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -78.32 -29.57 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.93 100.39 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.65 21.23 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -98.26 -32.95 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -78.83 -40.76 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 29.8 mt -49.53 120.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -69.07 -41.42 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 p -161.97 161.55 28.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 10.3 m-85 -109.93 146.66 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -121.73 125.15 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 tp -99.1 144.28 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -143.14 115.75 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -128.83 144.49 51.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -153.22 145.78 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.67 134.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 42.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.1 mtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.31 145.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.444 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 65.0 t -134.37 92.11 21.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -177.24 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.736 2.29 . . . . 0.0 112.32 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.86 51.79 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 37.6 mt -113.47 106.74 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -115.89 41.57 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -135.74 166.87 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.98 10.83 29.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -169.63 124.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -115.76 125.49 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -88.53 108.72 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.46 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -118.27 147.43 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 31' ' ' ASP . . . 94.3 46.9 2.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 48.6 mt -111.65 162.77 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -91.99 128.38 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.2 p -58.88 151.83 20.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.4 64.44 1.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 92' ' ' ARG . 21.6 m -153.47 143.95 22.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.409 ' N ' HG23 ' A' ' 91' ' ' THR . 36.8 mtt180 -72.46 140.03 48.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -142.4 123.13 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 95' ' ' PHE . 28.2 mt -92.95 138.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 113' ' ' LEU . 87.0 m-85 -125.73 131.19 52.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.419 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 49.0 mt -134.91 105.7 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.9 t -84.56 127.76 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -115.55 110.35 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.88 125.56 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 mt -113.74 138.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -143.62 -176.75 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.21 -31.79 65.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -69.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.9 -142.18 3.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -134.18 151.03 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 16.7 tpt180 -133.92 106.73 7.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -80.89 123.89 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -79.45 178.58 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -74.66 150.55 86.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.8 Cg_endo -69.83 114.63 3.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 m -100.59 103.7 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -76.92 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.478 HD11 ' CE1' ' A' ' 95' ' ' PHE . 40.7 mt -132.06 169.08 16.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 3.0 mtpm? -135.32 137.28 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 20.1 p -85.52 179.56 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.547 0.689 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.72 16.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -52.78 133.29 47.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.83 12.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.69 30.13 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.744 2.296 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -123.2 105.48 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.63 109.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -73.67 80.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -53.38 -28.48 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -86.02 -24.87 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.2 m -51.42 144.79 9.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.8 p -130.86 139.15 50.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 114' ' ' LYS . . . -115.19 136.58 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' HIS . 12.6 m -131.14 166.44 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.7 p-80 -35.81 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 54.7 p30 -121.81 38.75 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.67 148.11 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.5 mt -146.8 127.72 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 m -109.14 108.31 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 95' ' ' PHE . 51.2 t -94.68 127.28 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -106.81 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.45 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 24.2 p90 -115.49 142.34 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 tp -116.7 135.24 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 t -135.27 148.33 49.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 19.0 p-10 -79.54 -34.7 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 9.5 m-20 -143.04 105.2 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.97 22.4 12.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -82.93 -38.58 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.6 m -76.48 -41.78 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.2 mt -47.52 114.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -58.99 -35.41 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.2 p -171.57 163.27 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.71 156.93 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.08 149.12 51.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 12.5 tp -126.32 134.55 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -125.59 114.11 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -124.85 144.89 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 t -161.63 140.77 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.37 125.63 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.3 mtm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.83 148.03 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.479 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 77.9 t -134.43 89.99 25.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.2 47.95 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 19.5 mt -114.9 114.65 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -126.77 35.3 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -128.07 177.43 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 7.3 m120 -102.7 13.85 33.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -171.6 123.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -121.14 123.18 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.1 m -83.1 113.97 20.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.5 t -88.13 129.65 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.89 150.01 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 52.19 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 93' ' ' TYR . 15.4 mt -120.75 169.16 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -94.02 155.62 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 90' ' ' GLY . 86.6 p -80.11 155.33 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 89' ' ' SER . . . 35.73 60.88 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 92' ' ' ARG . 89.8 m -143.59 147.25 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.415 ' N ' HG21 ' A' ' 91' ' ' THR . 55.8 mtt180 -76.18 132.08 39.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.428 ' CE2' HD23 ' A' ' 87' ' ' LEU . 11.2 m-85 -132.81 120.45 21.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.1 mt -91.57 143.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.164 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CD2' HG22 ' A' ' 35' ' ' VAL . 90.2 m-85 -132.97 135.91 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.45 HG23 ' ND2' ' A' ' 107' ' ' ASN . 60.7 mt -139.02 107.63 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.447 HG23 ' CE3' ' A' ' 37' ' ' TRP . 74.0 t -82.98 118.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -109.18 110.16 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.23 124.71 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.32 130.44 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -144.58 175.89 9.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -53.09 -33.86 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.28 -53.6 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.13 -135.74 3.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.4 p -145.49 152.24 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -138.68 117.28 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 107' ' ' ASN . 0.3 OUTLIER -85.73 121.34 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -77.82 175.3 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.79 148.14 98.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.1 m -109.22 100.24 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -75.19 138.17 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' A' ' 95' ' ' PHE . 35.0 mt -136.02 171.62 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 14.9 mtpp -140.73 135.21 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.5 p -86.22 179.9 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.3 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.539 0.685 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -54.96 138.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.14 15.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.44 60.16 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -110.18 108.59 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.32 123.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -91.47 97.47 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.06 -21.17 66.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -80.75 -24.81 38.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.03 -30.11 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 143.66 56.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.0 p -120.31 157.71 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.63 132.04 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -129.82 167.15 18.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.9 p-80 -39.3 -68.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 69.7 m-20 -122.65 41.52 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.14 144.04 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.154 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 34' ' ' THR . 12.1 mt -144.13 133.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.426 ' N ' HG21 ' A' ' 33' ' ' ILE . 3.8 m -111.15 102.21 10.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' CD2' ' A' ' 95' ' ' PHE . 57.7 t -87.71 111.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -92.97 119.45 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 35' ' ' VAL . 37.0 p90 -119.06 145.75 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.544 ' CD1' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -99.84 147.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.56 116.76 19.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -71.24 -42.08 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -142.57 106.37 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ILE . 12.0 pt-20 -100.62 -26.83 13.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -39.04 -32.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -88.86 -38.35 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' GLU . 53.0 mt -62.14 125.51 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 t -81.46 -32.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.4 p -172.78 160.54 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -108.55 152.94 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.29 126.9 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 16.2 tp -97.2 123.76 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -123.74 115.54 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.533 ' CE2' ' HE2' ' A' ' 72' ' ' MET . 7.7 p90 -133.68 161.16 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -163.88 144.47 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 40.2 mt -67.23 121.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.533 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 2.5 mpp? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.728 0.299 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 73' ' ' ILE . 5.2 mp -125.5 141.86 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.425 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 97.1 t -134.62 92.82 19.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -177.41 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 63.22 50.14 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 23.8 mt -112.67 107.68 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -118.69 40.99 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 11.0 pm0 -139.46 177.31 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.407 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 4.2 m120 -102.94 15.9 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -172.57 123.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.425 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.1 t80 -119.43 126.09 50.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.1 m -85.38 106.33 16.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.47 127.86 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -109.5 144.16 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.24 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 93' ' ' TYR . 50.1 mt -109.27 177.47 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.39 145.25 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 p -74.71 147.59 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.75 63.61 2.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 92' ' ' ARG . 52.8 m -153.0 144.16 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.459 ' N ' HG21 ' A' ' 91' ' ' THR . 40.7 mtm-85 -72.04 145.98 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 21.7 m-85 -146.69 116.01 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 95' ' ' PHE . 89.6 mt -90.43 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CD2' HG23 ' A' ' 35' ' ' VAL . 94.4 m-85 -121.88 139.82 53.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 22.3 mt -141.7 106.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.81 142.08 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -127.0 118.47 24.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -87.25 109.28 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 101' ' ' ASN . 22.2 mt -105.39 139.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.415 ' N ' HG21 ' A' ' 100' ' ' ILE . 45.3 p30 -144.85 -178.09 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -54.25 -36.37 63.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.35 -73.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -155.71 -135.26 1.97 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 p -144.97 154.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -141.75 108.24 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.78 135.87 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -88.26 176.18 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.98 151.24 96.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.78 122.7 9.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.322 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 m -103.21 111.02 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.5 mmm-85 -73.95 141.88 45.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' A' ' 95' ' ' PHE . 55.3 mt -147.75 158.98 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -135.98 142.58 44.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 42.8 p -89.74 176.65 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.545 0.688 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 124.67 11.33 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -49.9 138.88 17.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 131.1 20.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 163.18 39.22 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.287 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -118.96 103.88 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.47 107.68 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -74.46 124.27 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -88.07 -20.25 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.07 -27.88 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.8 mt -89.83 -29.52 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.3 p -63.73 138.19 58.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.8 p -118.03 149.05 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.6 132.75 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -124.66 167.36 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.6 p-80 -38.35 -71.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 30.8 p30 -116.71 12.71 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.561 HG23 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -129.29 161.47 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 32' ' ' THR . 25.1 mt -159.4 134.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 33' ' ' ILE . 6.5 m -114.2 107.7 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 95' ' ' PHE . 87.5 t -93.47 130.51 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -109.4 123.34 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.432 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 28.6 p90 -118.33 142.96 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -123.18 133.24 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 t -139.29 159.33 42.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.92 -24.95 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -102.99 31.56 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.31 4.37 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -85.36 -31.89 22.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -90.82 -43.37 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.433 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 88.1 mt -39.27 132.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -79.49 -45.58 19.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.8 p -156.58 156.69 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 8.0 m-85 -105.3 151.43 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -124.26 129.42 50.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 tp -107.55 125.89 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.47 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 30.2 mt-30 -117.29 126.85 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -137.73 145.82 42.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 t -155.61 152.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.499 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 22.3 mt -79.55 110.18 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.426 ' C ' HD11 ' A' ' 73' ' ' ILE . 12.0 mtm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 51' ' ' GLN . 5.3 mm -114.22 158.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 82' ' ' TYR . 94.3 t -134.9 90.42 22.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 175.81 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 63.7 53.08 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 30.9 mt -112.68 106.84 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -114.77 42.97 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -140.44 171.52 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.432 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.4 m120 -98.36 6.54 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -161.53 122.74 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.0 t80 -120.45 118.76 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -81.62 114.09 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.9 131.57 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.561 ' CD2' HG23 ' A' ' 32' ' ' THR . 13.7 m170 -114.03 151.99 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.06 42.45 4.98 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 93' ' ' TYR . 66.4 mt -108.1 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' NE2' HD11 ' A' ' 54' ' ' ILE . 25.8 mt-30 -107.06 146.02 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.4 p -74.09 157.61 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.29 40.89 2.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.5 m -130.62 141.71 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -71.89 148.73 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.56 ' CE1' HD22 ' A' ' 87' ' ' LEU . 20.8 m-85 -151.52 116.85 5.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 47.0 mt -89.86 140.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CD2' HG22 ' A' ' 35' ' ' VAL . 54.3 m-85 -124.96 134.25 52.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 57.3 mt -138.28 107.9 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -83.15 126.43 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -115.42 108.85 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.422 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . . . -80.73 127.91 33.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.36 133.15 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -138.63 -174.96 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.57 -35.43 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.84 -59.54 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.05 -137.79 2.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 t -144.43 154.85 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.47 113.07 8.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.4 126.1 30.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p -81.72 177.2 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.99 149.14 87.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.2 Cg_endo -69.84 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.7 m -96.24 110.1 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -72.86 129.91 39.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 95' ' ' PHE . 71.9 mt -142.36 142.62 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -121.8 148.58 44.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.7 p -91.21 170.22 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.05 49.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -60.43 141.94 91.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.64 9.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 148.27 64.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -106.29 117.7 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -79.64 117.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 40.6 mmm-85 -86.19 123.22 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -88.02 -20.59 25.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -81.74 -20.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' CD1' ' HG3' ' A' ' 22' ' ' ARG . 16.0 mt -99.25 -24.91 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 p -75.03 134.8 41.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 p -105.73 158.96 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.18 133.81 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.2 t -132.64 158.07 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.1 p-80 -33.21 -69.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 40.4 p30 -119.3 44.2 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -161.5 154.97 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 115' ' ' THR . 30.6 mt -156.66 129.76 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -109.51 105.41 14.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' A' ' 95' ' ' PHE . 61.1 t -91.38 131.22 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -110.9 121.25 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.476 ' CE3' HG21 ' A' ' 97' ' ' VAL . 19.6 p90 -109.38 141.53 41.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -118.98 137.15 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -136.19 157.22 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.56 -29.26 24.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.58 105.12 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -119.68 21.81 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -90.1 -39.35 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -74.92 -43.62 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.6 mt -45.06 127.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -78.78 -41.11 31.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.1 p -162.19 154.73 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.24 156.89 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.16 126.22 40.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.2 148.62 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.34 114.44 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.462 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 13.1 p90 -129.72 150.0 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.4 t -156.28 156.04 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 HD11 ' NE2' ' A' ' 88' ' ' GLN . 22.9 mt -79.87 124.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 94' ' ' ILE . 74.9 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.31 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 74' ' ' VAL . 5.2 mp -130.27 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 82' ' ' TYR . 82.5 t -131.42 94.68 25.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.73 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 10.9 p30 48.34 49.43 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 22.7 mt -104.93 107.64 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.3 42.13 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.408 ' CD ' HG22 ' A' ' 77' ' ' ILE . 14.7 pm0 -140.16 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.471 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -104.83 14.14 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -172.54 122.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.5 t80 -112.53 120.23 40.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.401 ' CG2' HG22 ' A' ' 32' ' ' THR . 7.2 m -84.01 110.94 18.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.9 t -85.54 104.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CD2' HG23 ' A' ' 32' ' ' THR . 18.2 m-70 -96.21 133.01 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.93 34.35 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' CD1' HG13 ' A' ' 33' ' ' ILE . 38.9 mt -94.65 -175.33 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' A' ' 54' ' ' ILE . 59.2 mt-30 -112.51 139.97 47.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 p -63.49 148.62 48.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.7 60.05 2.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -144.45 137.07 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -71.92 143.45 49.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -144.64 118.23 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 55' ' ' PHE . 91.2 mt -94.44 127.29 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 52' ' ' TYR . 92.7 m-85 -111.5 146.35 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 64.6 mt -147.1 107.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.476 HG21 ' CE3' ' A' ' 37' ' ' TRP . 66.2 t -89.42 132.96 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -128.78 111.66 13.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.89 146.21 46.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 101' ' ' ASN . 16.9 mt -132.88 143.59 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.413 ' N ' HG21 ' A' ' 100' ' ' ILE . 35.1 p-10 -150.43 -178.42 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.36 -27.17 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.74 -71.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.21 -139.81 2.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 p -150.88 149.72 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.96 115.73 16.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -84.03 131.83 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -84.48 176.33 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.49 151.06 87.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.445 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.3 Cg_endo -69.74 129.35 17.47 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.0 m -113.7 106.32 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.475 ' CG ' HG12 ' A' ' 94' ' ' ILE . 12.4 mtt85 -73.85 123.13 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.9 mt -131.95 144.7 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.9 149.91 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.457 HG23 ' CD1' ' A' ' 33' ' ' ILE . 19.0 p -93.41 160.95 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.629 0.728 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.75 129.75 18.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.66 134.2 10.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 123.33 10.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.17 59.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -107.23 107.34 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.69 114.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -84.28 105.19 14.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.69 -37.16 76.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 10.0 pt-20 -58.19 -37.51 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 16.7 mt -84.28 -27.35 27.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.7 m -54.34 160.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -146.34 137.3 24.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.63 137.87 50.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -129.49 167.08 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CG ' ' H ' ' A' ' 31' ' ' ASP . 13.8 p-80 -42.2 -64.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' H ' ' CG ' ' A' ' 30' ' ' HIS . 1.4 m-20 -124.71 35.66 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -156.34 154.74 31.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.4 mt -154.68 131.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.0 m -113.93 113.42 24.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.505 HG21 ' CG ' ' A' ' 95' ' ' PHE . 58.2 t -98.33 130.29 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -108.18 125.04 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.466 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 23.4 p90 -115.72 139.17 50.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 39' ' ' SER . 3.3 tp -107.6 139.42 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 38' ' ' ILE . 15.2 p -138.44 149.01 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.45 -31.81 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' OD2' ' CE2' ' A' ' 43' ' ' PHE . 1.1 m-20 -156.38 110.05 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.6 22.14 16.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CE2' ' OD2' ' A' ' 41' ' ' ASP . 1.8 m-85 -81.66 -41.96 20.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 m -74.61 -36.93 62.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.05 122.38 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -65.49 -43.15 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -169.09 161.06 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.41 154.66 19.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG2' ' CG2' ' A' ' 73' ' ' ILE . 10.7 tt0 -124.74 131.61 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 14.7 tp -107.66 120.34 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.459 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 54.8 mt-30 -115.51 119.61 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -131.2 147.64 52.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.3 t -155.12 146.32 22.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.451 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.1 mt -75.14 122.04 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.444 ' CD2' HD12 ' A' ' 94' ' ' ILE . 25.4 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.3 mtm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 49' ' ' GLU . 8.2 mm -113.34 161.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.515 HG12 ' CE2' ' A' ' 82' ' ' TYR . 97.9 t -135.0 88.72 26.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.12 7.18 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 62.96 54.75 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 47.6 mt -112.53 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -118.82 41.61 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -138.8 173.13 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.466 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.0 m120 -99.71 12.77 35.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -171.86 121.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CE2' HG12 ' A' ' 74' ' ' VAL . 5.2 t80 -112.43 123.92 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.471 HG23 ' CD2' ' A' ' 85' ' ' HIS . 10.6 m -89.45 107.74 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -83.52 111.62 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.471 ' CD2' HG23 ' A' ' 83' ' ' THR . 13.1 m-70 -99.71 149.67 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.79 39.89 4.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.412 HD23 ' CE2' ' A' ' 93' ' ' TYR . 45.3 mt -103.7 -179.99 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -99.77 148.88 23.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 p -81.21 141.82 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.79 57.2 16.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 92' ' ' ARG . 55.9 m -147.72 141.98 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 91' ' ' THR . 32.5 mtt180 -71.92 140.79 49.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.451 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 17.1 m-85 -140.83 119.19 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 95' ' ' PHE . 66.8 mt -89.92 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.542 ' CD1' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -129.11 134.62 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 46.1 mt -136.28 109.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 98' ' ' LYS . 57.8 t -82.98 135.46 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' N ' HG12 ' A' ' 97' ' ' VAL . 13.9 ttmt -123.48 129.46 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -99.56 111.22 23.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -106.29 130.54 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -136.51 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.49 -38.1 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.82 -72.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.28 -139.7 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 p -140.78 153.89 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -138.28 105.08 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -79.68 130.84 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.5 p -83.52 175.03 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.81 150.81 93.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.7 Cg_endo -69.77 119.77 6.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.7 m -99.92 105.75 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -72.99 127.05 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.542 HD12 ' CD1' ' A' ' 95' ' ' PHE . 89.3 mt -132.33 158.7 41.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.407 ' CG ' ' HG2' ' A' ' 92' ' ' ARG . 28.7 mtpt -132.25 138.99 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 35.3 p -85.41 173.84 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.583 0.706 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.751 2.301 . . . . 0.0 112.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -41.07 135.83 1.68 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.22 20.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.94 20.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 38' ' ' ILE . 1.7 m -122.27 100.45 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.17 101.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -71.36 125.31 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -88.07 -25.89 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.19 -20.52 48.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 mt -96.77 -26.11 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -74.97 139.18 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 p -114.81 162.63 16.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.412 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -129.62 135.23 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.2 m -129.25 166.01 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CG ' ' H ' ' A' ' 31' ' ' ASP . 16.1 p-80 -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' H ' ' CG ' ' A' ' 30' ' ' HIS . 36.3 m-20 -124.93 39.48 3.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -160.93 153.45 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' CD1' HG21 ' A' ' 115' ' ' THR . 65.9 mt -153.63 135.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 m -111.75 108.8 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.517 HG22 ' CG ' ' A' ' 95' ' ' PHE . 66.9 t -93.15 125.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -107.82 127.33 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CE3' HG21 ' A' ' 97' ' ' VAL . 26.4 p90 -122.84 148.9 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 20' ' ' SER . 3.8 tt -128.34 147.97 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -139.16 154.57 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.69 -36.79 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.91 99.66 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.9 -25.33 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -45.76 -38.26 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -71.21 -40.85 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 41.0 mt -65.23 116.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -79.1 -24.84 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.9 p -166.75 155.08 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 9.3 m-85 -108.29 153.15 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -127.25 130.38 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 14.7 tp -98.17 150.19 21.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -148.22 114.35 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 19.4 p90 -132.19 153.77 50.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -158.61 140.37 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.528 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 58.7 mt -70.19 116.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 11.1 mtm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.72 0.295 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.26 143.08 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.491 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 75.5 t -134.95 96.25 14.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 0.0 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.0 Cg_endo -69.77 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 10.4 p30 48.5 51.85 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 18.4 mt -113.65 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.06 41.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.31 171.4 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.33 11.23 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -166.78 126.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' CZ ' HG13 ' A' ' 74' ' ' VAL . 4.4 t80 -119.76 115.66 24.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -81.64 113.72 19.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.26 117.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.544 ' CD2' ' CG2' ' A' ' 32' ' ' THR . 10.5 m-70 -103.91 135.61 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.82 35.38 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.518 HD21 ' CE1' ' A' ' 93' ' ' TYR . 53.5 mt -99.15 -176.74 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.476 ' NE2' HD12 ' A' ' 54' ' ' ILE . 58.6 mt-30 -112.79 147.25 37.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 p -68.02 150.4 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 37.95 63.58 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.0 m -145.98 143.23 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -71.74 141.19 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.528 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 15.8 m-85 -145.27 114.1 6.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 95' ' ' PHE . 39.1 mt -89.81 141.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.517 ' CG ' HG22 ' A' ' 35' ' ' VAL . 89.6 m-85 -130.71 142.87 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 90.7 mt -149.08 110.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG21 ' CE3' ' A' ' 37' ' ' TRP . 90.5 t -82.05 137.4 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -120.06 108.54 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -76.95 120.71 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.4 mt -110.77 141.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -150.95 -177.95 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.21 -31.14 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.74 -72.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.94 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.3 p -137.71 163.32 31.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -146.54 119.1 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.401 ' OD1' HG23 ' A' ' 96' ' ' ILE . 1.7 t-20 -88.13 123.89 33.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -76.61 171.99 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 150.81 97.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.463 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 95.2 m -95.86 104.06 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 129.12 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 95' ' ' PHE . 67.0 mt -136.39 146.13 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -121.98 135.61 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 33' ' ' ILE . 69.1 p -79.49 170.79 16.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 56.2 m-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.544 0.688 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.09 10.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.14 138.18 14.01 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.626 0.727 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 123.84 10.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 162.19 43.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -121.16 108.95 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.447 HG23 ' CG1' ' A' ' 35' ' ' VAL . 93.0 mt -71.52 104.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -70.33 96.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -62.43 -31.64 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.36 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 mt -84.41 -26.89 27.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.6 m -53.98 163.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.6 p -147.43 140.32 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -115.48 134.47 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 20.7 m -127.76 166.88 17.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.494 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.2 p-80 -37.44 -71.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.494 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 m-20 -119.23 23.38 11.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.43 156.8 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -156.57 132.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 m -114.82 118.68 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 21' ' ' ILE . 96.7 t -104.8 129.21 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -108.42 119.94 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -109.79 132.37 54.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -103.17 128.98 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -138.72 146.53 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -111.53 83.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -114.98 21.88 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -92.54 -33.07 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -82.05 -44.09 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -43.6 121.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -64.13 -40.18 95.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -169.16 158.19 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.96 148.59 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -124.54 133.01 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 tp -107.55 135.38 49.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.16 121.12 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 22.0 p90 -133.7 146.83 51.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -155.67 153.55 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.2 mt -78.5 119.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.6 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 74' ' ' VAL . 5.3 mp -133.78 142.63 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.42 ' N ' HG21 ' A' ' 73' ' ' ILE . 89.8 t -134.63 91.54 21.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -177.05 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 62.1 50.06 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.6 mt -109.28 101.41 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -111.43 43.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.68 169.98 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.04 14.79 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -170.24 123.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 4.5 t80 -121.67 120.48 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.403 HG23 ' CD2' ' A' ' 85' ' ' HIS . 10.6 m -83.45 110.98 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.2 t -81.9 125.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' HG23 ' A' ' 83' ' ' THR . 11.9 m170 -112.17 143.28 43.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.78 42.57 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.506 HD21 ' CE2' ' A' ' 93' ' ' TYR . 19.3 mt -107.5 179.97 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -104.66 139.28 39.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 p -68.78 142.97 54.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.24 62.4 4.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 92' ' ' ARG . 20.6 m -150.37 145.63 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.456 ' N ' HG23 ' A' ' 91' ' ' THR . 56.5 mtt85 -72.11 142.0 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.506 ' CE2' HD21 ' A' ' 87' ' ' LEU . 18.8 m-85 -143.01 124.15 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 95' ' ' PHE . 75.7 mt -99.15 133.78 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' A' ' 113' ' ' LEU . 96.2 m-85 -120.9 142.9 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 52.6 mt -145.54 110.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.5 t -84.44 126.62 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -118.91 112.9 20.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.19 131.23 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 101' ' ' ASN . 5.3 mp -120.51 138.92 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.43 ' N ' HG23 ' A' ' 100' ' ' ILE . 27.4 p-10 -142.4 173.46 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -48.03 -31.6 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.32 -72.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.61 -134.36 1.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.9 t -154.05 156.57 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -139.94 113.34 8.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -80.25 135.12 36.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -87.28 178.96 6.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.48 150.46 86.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.709 0.766 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.441 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 121.5 8.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.3 m -100.21 108.27 20.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -74.23 129.83 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 95' ' ' PHE . 91.7 mt -141.49 140.43 33.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 2.4 mtpm? -118.06 135.73 54.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.0 p -80.87 166.35 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 3.2 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.531 0.682 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 125.35 12.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -52.38 138.35 39.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.87 16.66 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.51 105.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 6.0 mmp_? -79.84 126.62 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.25 -27.98 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.54 -25.14 59.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.17 -29.98 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.0 p -71.6 145.08 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -123.88 153.06 41.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -119.62 134.34 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' HIS . 15.0 m -128.84 166.6 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 4.3 p-80 -35.98 -72.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.496 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.7 m-20 -116.39 11.77 15.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.561 HG21 ' CD2' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -124.81 157.27 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' CG1' ' O ' ' A' ' 32' ' ' THR . 60.6 mt -157.54 130.79 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -110.59 114.5 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG23 ' CD2' ' A' ' 95' ' ' PHE . 87.0 t -102.95 124.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -105.43 126.02 51.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.3 p90 -117.31 133.39 56.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 tp -110.85 128.89 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 142.76 51.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.02 -9.46 30.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -175.16 126.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.32 21.51 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.22 -37.64 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 m -76.43 -44.15 37.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 71.4 mt -50.56 122.43 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.64 -36.2 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 p -163.42 165.64 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.49 171.03 7.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' CD ' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -127.9 145.59 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.579 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 15.5 tp -130.42 119.48 22.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.471 ' NE2' HG12 ' A' ' 73' ' ' ILE . 9.5 mt-30 -122.31 135.83 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.615 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 3.4 p90 -150.3 145.06 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -155.7 151.77 27.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.466 HD11 ' NE2' ' A' ' 88' ' ' GLN . 32.5 mt -69.51 117.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.615 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.5 ptp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.471 HG12 ' NE2' ' A' ' 51' ' ' GLN . 5.0 mp -136.94 152.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.5 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 79.3 t -130.35 92.07 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 63.81 46.5 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 52.2 mt -109.07 126.45 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -134.92 40.76 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -135.49 166.45 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -93.48 12.96 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -171.65 124.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.579 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 14.2 t80 -116.03 114.53 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.7 m -77.08 113.41 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.0 t -84.5 131.69 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.561 ' CD2' HG21 ' A' ' 32' ' ' THR . 10.0 m-70 -121.77 130.22 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.51 50.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.603 ' CD2' ' CE2' ' A' ' 93' ' ' TYR . 21.7 mt -119.45 -175.49 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' NE2' HD11 ' A' ' 54' ' ' ILE . 53.2 mt-30 -113.22 139.2 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -63.38 147.43 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.33 55.1 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -141.09 141.14 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 43.0 mtt180 -72.02 154.87 40.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.603 ' CE2' ' CD2' ' A' ' 87' ' ' LEU . 24.6 m-85 -157.05 119.16 3.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.1 mt -91.47 116.33 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 113' ' ' LEU . 73.3 m-85 -99.77 138.37 36.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.6 mt -139.05 105.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.2 t -88.6 139.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.428 ' HB3' ' CD ' ' A' ' 49' ' ' GLU . 21.2 ttpp -132.29 130.07 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . . . -92.42 131.39 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.42 141.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -152.63 179.9 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.95 -34.51 59.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.82 -71.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.62 -142.69 3.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.5 p -144.59 153.64 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -141.25 111.1 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.52 129.14 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -77.78 179.01 6.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.28 151.12 83.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.66 0.743 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 113.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -99.32 103.91 15.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -72.91 131.08 41.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 95' ' ' PHE . 78.8 mt -128.56 168.79 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -138.88 131.61 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.2 p -79.76 165.92 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 85.6 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.9 20.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -52.86 137.58 45.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.34 15.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 156.79 62.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -112.0 99.98 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.7 mt -64.94 104.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -77.87 127.11 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -88.02 -30.4 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.21 -24.05 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.6 mt -92.85 -30.16 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.97 154.13 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 p -130.77 149.92 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 114' ' ' LYS . . . -116.95 131.39 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 32' ' ' THR . 1.1 t -128.32 166.57 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.479 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.9 p-80 -42.28 -68.04 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 1.0 OUTLIER -122.1 37.88 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -161.2 135.64 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.5 mt -137.31 134.3 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -112.35 110.7 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 95' ' ' PHE . 97.2 t -99.17 132.0 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -111.97 124.14 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.455 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.7 p90 -112.16 134.47 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -110.99 129.23 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.8 t -131.11 153.35 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 41' ' ' ASP . 20.0 p-10 -89.7 -31.49 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 2.3 m-20 -131.51 100.78 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -113.38 -33.7 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.27 -31.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -79.6 -45.94 18.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.516 HD13 ' CZ ' ' A' ' 48' ' ' TYR . 69.2 mt -51.63 120.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 -45.22 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.2 p -155.2 158.61 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.516 ' CZ ' HD13 ' A' ' 45' ' ' ILE . 5.6 m-85 -107.19 157.69 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -132.02 133.53 44.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.429 HD12 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 tp -108.56 141.18 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.474 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 34.7 mt-30 -130.18 116.13 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.05 145.52 50.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.7 t -157.39 143.39 17.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.504 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 33.7 mt -69.31 114.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.5 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 51' ' ' GLN . 4.9 mm -110.25 156.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 82' ' ' TYR . 96.5 t -135.0 94.43 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.7 -166.18 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.6 p-10 47.72 54.4 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 16.7 mt -108.9 108.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -118.21 43.25 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.38 166.96 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -87.89 -6.74 57.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -153.87 133.01 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CE2' HG11 ' A' ' 74' ' ' VAL . 9.3 t80 -122.75 129.89 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 m -92.16 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.5 t -78.0 124.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -105.5 149.89 25.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 43.69 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 93' ' ' TYR . 19.7 mt -106.54 171.06 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -97.76 137.4 36.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.3 p -69.07 149.11 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.32 51.79 9.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -141.91 146.22 35.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.749 0.309 . . . . 0.0 111.149 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -72.69 147.86 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.556 ' CE1' HD23 ' A' ' 87' ' ' LEU . 11.5 m-85 -148.57 119.45 7.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.46 HG12 ' CG ' ' A' ' 112' ' ' ARG . 50.0 mt -89.77 142.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CE2' HD11 ' A' ' 113' ' ' LEU . 91.8 m-85 -128.85 134.98 48.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 20.5 mt -141.09 106.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.455 HG21 ' CE3' ' A' ' 37' ' ' TRP . 73.3 t -83.3 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 21.1 ttpp -128.45 110.85 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.37 136.08 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.3 mt -124.38 131.6 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -138.95 -175.14 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -59.74 -34.3 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.498 ' N ' ' OE1' ' A' ' 102' ' ' GLN . . . -70.47 -55.84 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.77 -133.55 1.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.5 p -149.12 162.96 38.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.385 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.02 113.24 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 98' ' ' LYS . 5.9 m120 -81.08 133.79 35.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.4 p -89.32 177.91 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.91 151.23 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.463 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.7 m -120.22 101.02 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.46 ' CG ' HG12 ' A' ' 94' ' ' ILE . 2.8 mtp-105 -73.31 128.07 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 95' ' ' PHE . 88.1 mt -128.02 150.25 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 31.1 mtpt -117.27 132.18 56.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.2 p -82.56 163.5 21.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.546 0.688 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 136.93 34.33 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -57.68 141.64 79.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.88 10.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.22 59.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -103.73 120.82 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.55 120.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -88.35 123.67 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.82 -21.89 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 mt -97.04 -29.28 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.3 p -71.63 147.53 47.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.9 p -123.04 162.67 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.6 137.03 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.7 m -132.31 165.95 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 3.5 p-80 -35.17 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 19.2 p30 -118.2 34.56 5.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.49 154.63 35.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 34' ' ' THR . 70.8 mt -154.96 138.55 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 33' ' ' ILE . 18.9 m -114.02 109.79 19.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.4 t -95.26 136.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.26 119.42 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.7 p90 -112.05 132.11 55.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.98 135.59 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -138.6 139.68 38.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.35 14.99 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.55 120.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.0 pt-20 -132.92 -32.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' GLU . 22.4 m-85 -36.23 -38.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -78.17 -40.29 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' GLU . 48.6 mt -62.2 127.14 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.2 m -81.89 -39.17 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.3 p -163.15 154.28 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.434 ' CZ ' HD13 ' A' ' 45' ' ' ILE . 7.6 m-85 -103.35 153.02 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.29 143.08 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.34 138.99 47.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -135.49 113.96 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 49.0 p90 -129.33 149.84 50.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.6 t -154.88 141.43 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.3 117.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 94' ' ' ILE . 33.8 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.4 ' C ' HD13 ' A' ' 73' ' ' ILE . 3.9 mpp? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 74' ' ' VAL . 5.3 mp -141.84 143.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' HG21 ' A' ' 73' ' ' ILE . 99.4 t -133.84 93.54 20.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.67 -179.21 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.94 49.29 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.7 mt -109.82 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -112.54 44.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -141.21 170.75 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -97.23 10.22 40.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -167.3 129.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -123.37 131.4 53.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 m -90.78 106.95 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.3 121.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -106.49 146.08 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 49.13 3.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 93' ' ' TYR . 37.8 mt -111.28 177.24 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -104.57 135.86 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 m -73.55 142.44 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.64 85.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 92' ' ' ARG . 38.3 m -146.29 142.17 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.439 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 38.6 mtt-85 -73.44 139.06 45.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.571 ' CE2' HD22 ' A' ' 87' ' ' LEU . 15.2 m-85 -135.59 120.98 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.575 HD11 ' CD2' ' A' ' 55' ' ' PHE . 84.0 mt -95.25 128.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 96.6 m-85 -116.3 140.92 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mt -138.89 107.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.93 134.94 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -123.48 129.04 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.34 110.27 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.49 145.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -154.53 179.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -54.08 -34.2 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.58 -57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.13 -130.39 1.36 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 p -154.98 151.15 28.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -135.06 110.84 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -81.86 134.1 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -88.06 179.08 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.11 149.91 89.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.68 132.98 24.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -120.29 109.87 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.05 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.3 mt -134.16 155.0 50.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HG3' ' NH1' ' A' ' 92' ' ' ARG . 30.9 mtpt -114.12 124.8 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.9 p -79.91 161.98 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.598 0.713 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.46 45.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -69.93 139.9 88.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 174.91 8.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -126.6 112.29 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.3 mt -77.32 98.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -71.31 125.46 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.82 -30.32 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.94 -24.27 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.55 -29.51 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.79 140.4 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -123.84 159.23 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 114' ' ' LYS . . . -126.08 146.79 49.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.3 m -138.34 167.31 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.3 p-80 -33.75 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 2.7 p30 -117.53 29.35 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.454 HG22 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -147.57 154.83 41.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 34' ' ' THR . 70.6 mt -153.3 137.8 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 33' ' ' ILE . 6.7 m -114.15 109.28 18.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.19 129.22 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -108.08 119.99 41.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.8 p90 -112.49 136.82 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -116.03 138.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -71.29 -28.67 64.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.5 118.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.71 22.28 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.37 -42.34 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -72.2 -42.74 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.523 HD13 ' CZ ' ' A' ' 48' ' ' TYR . 61.3 mt -53.31 116.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -67.01 -43.26 83.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.7 p -160.71 155.13 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CZ ' HD13 ' A' ' 45' ' ' ILE . 8.8 m-85 -101.71 156.43 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' CD ' HG21 ' A' ' 73' ' ' ILE . 7.2 tt0 -122.51 121.3 36.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -93.43 119.36 32.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -117.81 113.73 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 72' ' ' MET . 4.0 p90 -134.58 158.61 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -162.67 147.6 12.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.473 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 56.3 mt -70.43 120.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.5 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.527 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 8.6 mtm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.776 0.322 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 74' ' ' VAL . 5.0 mp -119.01 139.74 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' N ' HG23 ' A' ' 73' ' ' ILE . 72.3 t -134.95 89.78 23.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 111.186 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 62.86 47.26 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.8 mt -110.17 125.03 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -135.06 41.69 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pm0 -134.78 -179.74 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -108.73 14.64 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -172.7 121.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 3.5 t80 -115.89 117.51 30.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.2 m -79.2 111.02 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.02 123.52 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.454 ' CD2' HG22 ' A' ' 32' ' ' THR . 16.9 m170 -108.75 143.94 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.55 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 93' ' ' TYR . 38.3 mt -106.1 179.29 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.15 158.6 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.6 p -90.06 149.49 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.19 45.64 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 92' ' ' ARG . 80.5 m -135.91 141.55 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.471 ' N ' HG22 ' A' ' 91' ' ' THR . 11.6 mtt85 -71.92 136.26 46.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.473 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.7 m-85 -136.05 114.68 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 79.5 mt -91.51 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 97.5 m-85 -123.66 143.23 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 57.1 mt -145.62 110.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -82.72 136.31 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -125.55 114.81 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.74 131.29 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -124.19 140.06 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -152.75 -179.6 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -52.8 -33.86 50.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.81 -71.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.29 -138.54 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.7 p -150.15 141.82 23.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.88 147.49 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -114.36 129.31 56.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.71 167.87 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -68.39 149.7 97.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.462 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.74 126.45 13.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -108.18 110.44 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -74.42 120.89 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 95' ' ' PHE . 91.7 mt -128.55 161.25 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 11.1 mtpt -141.22 148.76 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.2 p -78.68 177.94 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 44.0 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.603 0.716 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HB3' ' CG ' ' A' ' 101' ' ' ASN . 53.3 Cg_endo -69.81 126.74 13.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.97 132.53 39.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.18 13.03 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.56 30.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -124.03 110.01 14.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.0 mt -72.07 119.73 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -91.37 108.04 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -71.87 -34.22 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.19 -32.1 73.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.04 -26.0 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.43 162.68 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -146.76 142.09 27.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.79 139.07 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 30' ' ' HIS . 14.4 m -131.7 162.25 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.49 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.4 p-80 -34.02 -67.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.49 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 5.6 m-20 -124.72 29.94 6.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.6 OUTLIER -147.08 149.58 33.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.9 mt -149.67 133.23 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.451 HG22 ' CD2' ' A' ' 36' ' ' HIS . 99.6 m -115.86 118.88 34.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' CG ' ' A' ' 95' ' ' PHE . 48.0 t -101.5 133.7 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.451 ' CD2' HG22 ' A' ' 34' ' ' THR . 9.9 m-70 -111.87 122.78 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.455 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 17.5 p90 -113.37 135.81 53.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 tp -106.16 131.76 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -138.62 143.83 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -86.3 -42.79 13.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -115.45 85.44 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -110.31 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.89 -38.14 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -75.54 -41.47 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.509 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 70.2 mt -49.48 112.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -58.79 -43.41 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.2 p -163.92 159.14 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.566 ' CE1' ' HB1' ' A' ' 99' ' ' ALA . 8.1 m-85 -103.83 154.55 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.31 131.34 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 12.7 tp -101.81 145.53 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.13 115.59 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.408 ' CE2' ' HE1' ' A' ' 72' ' ' MET . 37.7 p90 -130.13 146.19 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -152.07 142.54 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.517 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 69.5 mt -66.76 120.59 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CD1' ' HD2' ' A' ' 92' ' ' ARG . 2.0 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.408 ' HE1' ' CE2' ' A' ' 52' ' ' TYR . 3.6 mpp? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.59 143.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 82' ' ' TYR . 96.9 t -133.98 94.27 18.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.449 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 53.8 Cg_endo -69.79 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.7 p-10 47.09 53.13 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 14.2 mt -107.83 107.62 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -114.39 43.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -140.0 165.61 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.455 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 9.6 m-20 -93.29 13.07 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -173.08 125.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.6 t80 -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -88.92 105.86 18.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.419 HG12 ' CD2' ' A' ' 87' ' ' LEU . 65.2 t -81.79 123.36 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -108.6 151.78 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.77 33.81 9.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.419 ' CD2' HG12 ' A' ' 84' ' ' VAL . 64.2 mt -91.26 -175.58 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -109.24 136.91 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.93 149.1 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.59 63.72 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 92' ' ' ARG . 48.5 m -154.26 142.37 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.551 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 15.3 mtt180 -71.75 136.76 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.517 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 15.1 m-85 -137.77 119.85 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.413 HG12 ' HB3' ' A' ' 112' ' ' ARG . 71.2 mt -93.54 132.55 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CG ' HG23 ' A' ' 35' ' ' VAL . 96.5 m-85 -119.46 130.9 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.3 mt -132.03 111.11 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.55 127.08 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -118.71 115.17 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -84.77 134.67 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.2 mt -119.04 125.92 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.424 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 27.6 p-10 -137.94 -174.97 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -59.67 -35.19 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.8 -56.2 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.93 -137.03 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 p -140.86 141.12 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -125.74 127.42 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.63 130.73 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -84.24 178.81 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -71.48 148.16 93.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.73 5.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.7 m -108.18 110.29 21.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.413 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -89.84 133.89 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 95' ' ' PHE . 14.6 mt -129.96 174.42 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -140.73 139.65 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.2 p -89.26 -179.67 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 147.58 62.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.28 142.49 81.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 120.9 7.6 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 144.98 55.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.16 117.42 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -82.37 103.73 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -74.47 125.41 28.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -87.75 -18.9 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.92 -23.29 39.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.59 -30.07 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.0 p -64.23 145.48 55.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.6 p -121.58 151.59 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.88 138.0 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' THR . 1.9 t -134.9 163.92 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.9 p-80 -42.82 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.2 m-20 -120.15 35.15 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.512 HG22 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -160.63 147.41 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 32' ' ' THR . 78.1 mt -149.66 133.77 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -109.47 118.5 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 95' ' ' PHE . 48.1 t -104.2 129.13 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -109.27 126.29 53.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -116.24 130.94 57.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -104.95 132.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -139.01 143.22 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.46 -37.11 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.09 93.83 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -122.86 21.1 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.17 -26.08 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 m -87.23 -44.14 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.51 HD12 ' CZ ' ' A' ' 48' ' ' TYR . 88.4 mt -43.24 121.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -66.68 -45.61 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 p -159.89 156.43 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CZ ' HD12 ' A' ' 45' ' ' ILE . 9.1 m-85 -103.17 151.63 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' CG ' HG23 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -123.61 129.15 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 tp -104.9 119.86 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.663 ' NE2' ' HZ3' ' A' ' 98' ' ' LYS . 39.8 mt-30 -114.79 120.34 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HE3' ' A' ' 72' ' ' MET . 46.6 p90 -134.98 146.69 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 t -158.48 148.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.442 HD11 ' NE2' ' A' ' 88' ' ' GLN . 69.8 mt -69.56 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CD2' HD11 ' A' ' 94' ' ' ILE . 54.4 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.478 ' HE3' ' CE2' ' A' ' 52' ' ' TYR . 3.4 mpp? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.747 0.308 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.443 HG23 ' CG ' ' A' ' 49' ' ' GLU . 5.3 mp -146.2 141.77 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 78.6 t -131.92 93.56 26.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.73 -170.32 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 60.9 36.69 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 20.8 mt -99.42 104.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -117.65 37.16 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -132.79 178.22 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -102.55 12.54 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -172.13 125.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' CZ ' HG12 ' A' ' 74' ' ' VAL . 7.7 t80 -115.71 124.72 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -84.39 107.5 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.77 109.61 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.512 ' CD2' HG22 ' A' ' 32' ' ' THR . 7.4 m-70 -100.79 140.58 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.51 41.98 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 42.9 mt -107.03 -175.51 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.442 ' NE2' HD11 ' A' ' 54' ' ' ILE . 55.9 mt-30 -112.36 140.23 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.2 p -67.31 146.43 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.74 54.05 9.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -139.73 140.72 36.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 0.0 111.135 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -72.13 145.46 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -149.14 122.24 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 55' ' ' PHE . 59.5 mt -95.65 127.63 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.492 ' CD2' HG22 ' A' ' 35' ' ' VAL . 84.6 m-85 -113.87 140.21 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.413 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 63.2 mt -142.39 105.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.2 t -83.49 129.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.663 ' HZ3' ' NE2' ' A' ' 51' ' ' GLN . 5.1 ttpm? -122.51 122.91 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . . . -90.71 125.02 35.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 101' ' ' ASN . 5.1 mp -113.74 141.02 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.448 ' N ' HG22 ' A' ' 100' ' ' ILE . 48.6 p-10 -148.89 -175.02 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.66 -70.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.63 -135.19 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.9 145.8 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -132.16 120.32 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -91.83 132.01 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 t -81.38 171.66 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.03 151.2 95.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.76 114.87 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.246 . . . . 0.0 112.369 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -99.53 102.56 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -75.18 126.53 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 95' ' ' PHE . 83.9 mt -123.01 161.32 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -136.44 129.65 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -78.99 169.09 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 25.4 p30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 145.54 57.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.06 128.44 87.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 121.29 8.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.03 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.91 108.31 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.9 115.6 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.175 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' NH2' ' OE2' ' A' ' 24' ' ' GLU . 11.4 mmm180 -79.31 122.89 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 8.3 pm0 -79.0 -20.66 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 mt -96.77 -29.68 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 p -68.81 136.94 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p -111.76 161.94 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.21 136.33 50.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.462 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.6 t -131.85 164.18 26.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' CG ' ' H ' ' A' ' 31' ' ' ASP . 15.9 p-80 -48.6 -61.19 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 87' ' ' LEU . 26.0 t70 -119.72 28.25 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -154.43 152.67 30.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.476 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 34.4 mt -154.96 127.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 HG23 ' CD2' ' A' ' 36' ' ' HIS . 26.6 m -105.95 119.22 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.519 HG23 ' CG ' ' A' ' 95' ' ' PHE . 92.2 t -106.94 120.26 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.489 ' CD2' HG23 ' A' ' 34' ' ' THR . 11.4 m-70 -100.37 124.32 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -118.95 132.16 56.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 39' ' ' SER . 3.2 tp -100.8 141.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 38' ' ' ILE . 57.1 p -135.67 142.22 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -91.82 -4.53 54.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -173.99 125.76 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.91 3.55 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.78 -31.85 66.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 t -85.61 -33.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HD13 ' CB ' ' A' ' 99' ' ' ALA . 89.7 mt -65.55 113.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -29.29 68.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -173.04 157.01 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.2 m-85 -100.81 155.14 18.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -129.38 131.11 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -102.59 149.4 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -144.6 114.49 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 11.5 p90 -128.98 148.7 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -157.28 142.47 17.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.41 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 49.3 mt -67.59 124.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.546 ' CD2' HD13 ' A' ' 94' ' ' ILE . 38.2 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 12.7 mtm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 74' ' ' VAL . 4.5 mp -117.96 143.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.446 ' N ' HG21 ' A' ' 73' ' ' ILE . 48.2 t -131.7 94.11 26.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 62.13 50.39 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.411 HG21 ' NE2' ' A' ' 79' ' ' GLN . 3.8 mt -109.96 106.25 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.14 38.39 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 14.9 pm0 -133.97 -178.54 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -107.21 12.87 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -172.53 122.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.5 t80 -113.4 119.59 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.4 m -81.21 110.39 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 109.47 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.463 ' CE1' HG23 ' A' ' 32' ' ' THR . 29.1 m-70 -96.49 149.3 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.49 38.29 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 93' ' ' TYR . 13.9 mt -103.44 174.79 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.49 147.01 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -81.56 143.42 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.8 48.54 61.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 92' ' ' ARG . 36.0 m -140.55 144.26 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.446 ' N ' HG21 ' A' ' 91' ' ' THR . 76.4 mtt-85 -72.3 147.08 46.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.527 ' CE2' HD23 ' A' ' 87' ' ' LEU . 16.3 m-85 -146.7 120.59 9.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.546 HD13 ' CD2' ' A' ' 55' ' ' PHE . 91.3 mt -91.8 133.36 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 113' ' ' LEU . 41.5 m-85 -120.81 132.17 54.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 62.9 mt -137.39 105.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.8 t -83.19 137.81 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -126.81 123.19 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . . . -93.3 126.87 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -113.08 130.69 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -136.91 -177.95 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.28 -33.66 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.94 -72.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.2 -143.09 3.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -134.84 145.62 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -131.65 108.79 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -83.79 127.99 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -78.09 177.37 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.74 151.27 84.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.461 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.77 119.53 6.46 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.0 m -101.73 110.44 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -73.45 136.2 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 95' ' ' PHE . 95.9 mt -140.11 154.2 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -130.55 135.12 47.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.2 p -84.07 172.94 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 26.4 p30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 142.01 46.56 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -62.66 138.08 96.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.26 13.07 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.22 61.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -110.79 104.22 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -70.05 105.51 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.468 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 25.8 mmm-85 -74.97 121.99 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -87.45 -14.31 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.62 -26.68 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 HD12 ' CZ ' ' A' ' 22' ' ' ARG . 28.8 mt -90.86 -27.01 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 p -65.08 148.62 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -122.02 149.9 42.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.09 132.41 54.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -131.47 165.37 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.5 p-80 -39.87 -68.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.47 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 82.0 m-20 -120.45 35.49 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.81 148.38 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 HD13 ' CG2' ' A' ' 115' ' ' THR . 91.3 mt -151.0 137.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.1 m -117.32 118.93 33.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.497 HG22 ' CG ' ' A' ' 95' ' ' PHE . 97.3 t -105.39 127.93 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 3.3 m170 -106.72 126.8 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.9 p90 -117.38 132.51 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tp -110.96 136.43 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 p -132.5 156.26 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.35 -35.13 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.33 115.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -103.03 13.14 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.06 -22.67 59.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.61 -39.62 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.434 ' CD1' ' HB1' ' A' ' 99' ' ' ALA . 62.7 mt -60.24 136.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.35 -39.9 18.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.5 p -158.71 158.42 33.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.66 163.45 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.13 135.76 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 84' ' ' VAL . 14.9 tp -109.3 124.4 50.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.541 ' CE2' ' HE2' ' A' ' 72' ' ' MET . 25.2 p90 -130.73 145.45 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 t -155.83 145.21 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 28.6 mt -72.73 125.07 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.541 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 3.4 mpp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.92 142.97 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 76.0 t -132.58 92.58 26.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 62.85 53.6 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 25.5 mt -113.66 104.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -113.26 40.17 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.7 172.72 12.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -98.27 10.29 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -171.05 126.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -116.3 125.52 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -86.77 106.57 17.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 50' ' ' LEU . 57.4 t -80.64 111.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -97.87 147.22 24.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.65 42.8 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 93' ' ' TYR . 17.0 mt -104.95 -178.59 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -106.86 142.06 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.66 136.27 35.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.32 46.25 87.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.9 m -141.77 146.4 35.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -73.61 133.95 43.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.484 ' CE2' HD22 ' A' ' 87' ' ' LEU . 12.2 m-85 -134.71 119.01 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 95' ' ' PHE . 30.5 mt -90.78 138.51 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 113' ' ' LEU . 71.1 m-85 -123.97 137.78 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.428 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 39.2 mt -143.96 107.13 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.2 t -83.73 140.91 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.531 ' CD ' HD12 ' A' ' 100' ' ' ILE . 12.2 ttmt -127.05 118.8 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.434 ' HB1' ' CD1' ' A' ' 45' ' ' ILE . . . -87.71 110.74 20.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.531 HD12 ' CD ' ' A' ' 98' ' ' LYS . 5.2 mp -103.66 141.16 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -150.25 179.34 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -54.86 -26.6 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.77 -70.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.43 -137.07 2.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 p -147.11 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -131.96 111.1 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.25 126.41 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.2 t -78.82 178.56 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.35 150.84 82.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.428 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 116.45 4.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 96.1 m -97.85 106.51 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -75.9 122.41 24.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 95' ' ' PHE . 87.3 mt -125.7 160.99 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -135.09 131.56 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.415 ' CG2' HD13 ' A' ' 33' ' ' ILE . 13.0 p -82.32 172.74 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.605 0.717 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.0 137.13 26.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.82 16.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.45 24.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -125.53 107.34 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.98 119.96 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -93.07 122.06 35.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.64 -33.72 25.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.86 -25.18 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -94.34 -27.08 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -71.65 144.43 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.3 p -120.48 158.52 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.73 138.41 54.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 5.3 t -133.82 160.8 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.455 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 6.5 p-80 -37.91 -68.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 27.0 m-20 -120.03 38.03 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 m -160.41 155.16 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.442 ' CD1' HG21 ' A' ' 115' ' ' THR . 87.1 mt -153.2 137.96 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -115.12 104.74 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.64 128.72 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.5 124.19 50.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.6 p90 -116.55 136.78 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 tp -108.01 132.56 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -128.86 139.34 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.64 -27.8 45.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -142.11 106.7 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.82 22.54 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.63 -42.12 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -75.33 -41.73 56.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -49.37 112.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -65.37 -36.33 83.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.7 p -167.13 156.89 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -101.12 155.51 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -129.71 134.77 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -106.95 135.82 47.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -131.32 116.49 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 27.9 p90 -140.09 146.38 38.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -154.59 139.12 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.518 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 51.8 mt -59.3 107.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 15.0 ttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.706 0.289 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 74' ' ' VAL . 5.4 mp -144.15 138.76 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.478 ' N ' HG23 ' A' ' 73' ' ' ILE . 76.1 t -128.72 96.32 30.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 63.7 54.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.0 mt -113.7 110.62 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -122.3 42.97 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 82' ' ' TYR . 13.1 pt20 -141.45 163.81 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.81 13.44 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -171.59 122.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.447 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 6.2 t80 -115.5 126.54 54.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.414 HG23 ' NE2' ' A' ' 85' ' ' HIS . 24.5 m -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.523 HG12 ' CE2' ' A' ' 52' ' ' TYR . 57.4 t -91.13 111.95 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.414 ' NE2' HG23 ' A' ' 83' ' ' THR . 17.3 m-70 -95.31 149.57 21.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.91 5.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.6 mt -100.55 -174.88 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -110.1 136.06 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -73.21 134.46 44.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.23 60.35 8.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -151.64 144.6 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 111.157 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -71.86 146.69 47.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 8.8 m-85 -147.17 116.67 7.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.2 mt -91.58 118.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 113' ' ' LEU . 75.0 m-85 -107.83 139.96 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 21.3 mt -144.11 105.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.52 136.49 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -132.05 113.48 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.49 144.95 41.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.8 mt -131.8 135.18 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -146.01 167.48 23.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -42.08 -38.88 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.65 -71.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.01 -135.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 m -155.43 152.09 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -135.15 125.89 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -95.08 134.83 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -85.71 177.11 7.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.01 151.45 86.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.441 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.1 Cg_endo -69.75 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.8 m -105.49 107.41 18.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -73.91 120.13 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.52 HD11 ' CD1' ' A' ' 95' ' ' PHE . 31.0 mt -127.98 160.99 30.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -135.6 150.06 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.442 HG21 ' CD1' ' A' ' 33' ' ' ILE . 24.1 p -95.59 167.59 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.523 0.677 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 147.47 62.91 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.33 137.48 93.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 124.97 11.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.78 68.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.381 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -105.74 104.87 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -71.68 106.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -76.96 104.33 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HG2' ' CG2' ' A' ' 111' ' ' THR . 59.5 mt-10 -69.66 -35.25 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.28 -35.86 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 mt -84.82 -23.61 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 m -57.92 159.55 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.8 p -142.94 140.65 31.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -116.16 138.63 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' THR . 1.3 t -129.63 164.35 24.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CD2' ' CG ' ' A' ' 31' ' ' ASP . 24.4 p-80 -44.65 -58.31 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' CD2' ' A' ' 30' ' ' HIS . 31.9 p30 -127.15 35.12 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.6 OUTLIER -157.91 153.78 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 66.1 mt -152.98 129.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -113.18 118.78 35.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -101.39 136.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -113.93 123.47 49.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 27.3 p90 -118.99 133.74 55.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 tp -109.39 135.26 48.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -138.67 143.39 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -84.97 -41.2 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.98 94.09 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 21.06 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.88 -30.38 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -81.68 -41.02 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.6 mt -46.84 113.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 t -63.56 -31.72 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.3 p -172.31 158.67 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.27 163.78 12.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' CD ' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -140.34 125.8 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 13.5 tp -101.62 118.21 36.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.448 ' CG ' ' OE1' ' A' ' 49' ' ' GLU . 69.2 mt-30 -111.91 114.0 26.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 10.2 p90 -128.86 158.1 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -162.49 146.99 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.512 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 37.1 mt -72.02 120.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CD2' HD13 ' A' ' 94' ' ' ILE . 49.6 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.441 ' HE3' ' CE2' ' A' ' 52' ' ' TYR . 3.5 mpp? . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 74' ' ' VAL . 5.3 mp -141.52 138.31 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' N ' HG23 ' A' ' 73' ' ' ILE . 86.0 t -134.35 92.33 20.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.647 2.232 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 63.39 46.53 4.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mt -109.44 100.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -110.26 37.38 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -133.38 174.85 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.7 m120 -96.47 -2.5 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -158.72 122.29 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -115.05 124.8 52.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -87.46 118.43 26.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.8 t -92.16 119.54 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -104.66 145.32 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.48 45.85 2.26 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 93' ' ' TYR . 13.6 mt -111.19 177.28 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -103.32 140.56 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.59 144.49 37.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.89 43.37 99.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 92' ' ' ARG . 38.9 m -141.53 144.58 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.466 ' N ' HG22 ' A' ' 91' ' ' THR . 54.7 mtt-85 -71.77 150.01 44.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.512 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 13.3 m-85 -149.48 115.9 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.464 HD13 ' CD2' ' A' ' 55' ' ' PHE . 79.2 mt -90.35 143.91 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.543 ' CD2' HD11 ' A' ' 113' ' ' LEU . 97.6 m-85 -131.49 142.16 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.464 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 86.0 mt -145.11 108.77 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.406 HG22 ' CE3' ' A' ' 37' ' ' TRP . 97.1 t -83.46 121.46 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -117.09 110.71 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.79 135.8 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -119.04 134.49 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 42.3 p30 -140.69 -175.36 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 102' ' ' GLN . 18.8 tp60 -57.76 -35.53 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 101' ' ' ASN . . . -69.58 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.23 -134.01 1.61 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 93.2 p -142.47 149.82 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -129.74 107.18 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.553 ' C ' ' ND2' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -83.21 131.97 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.5 p -85.34 178.38 7.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.75 150.98 86.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.457 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.1 Cg_endo -69.81 116.74 4.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 52.0 m -96.41 107.71 20.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.411 ' NH2' ' CZ ' ' A' ' 55' ' ' PHE . 10.3 mmt85 -73.51 126.47 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.543 HD11 ' CD2' ' A' ' 95' ' ' PHE . 71.1 mt -135.93 146.97 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 17.1 mtpt -120.69 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 20.0 p -82.93 158.16 22.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 24.1 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -44.16 125.35 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -77.68 145.24 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 172.15 14.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -119.56 98.46 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -159.87 137.16 9.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 129.52 5.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.43 113.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.65 94.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -24.15 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.655 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.59 137.99 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 10.3 tt -121.82 -10.42 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -36.7 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.76 142.96 30.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.93 26.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -54.34 139.45 56.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 127.73 15.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 160.12 50.87 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -113.48 101.04 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.2 mt -70.8 103.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -76.37 124.79 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.85 -23.18 24.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.92 -25.9 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 mt -91.73 -28.89 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.6 p -65.56 145.53 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.7 p -121.69 156.56 32.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -126.37 126.29 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' HIS . 2.9 t -122.42 166.46 14.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.516 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 2.2 p-80 -34.66 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 11.3 p30 -121.06 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.71 136.55 15.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CD1' HG23 ' A' ' 115' ' ' THR . 71.7 mt -132.25 135.49 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -111.43 102.66 11.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 36' ' ' HIS . 60.3 t -89.07 137.35 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.431 ' N ' HG12 ' A' ' 35' ' ' VAL . 14.0 m-70 -115.54 127.41 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.446 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 26.2 p90 -120.86 123.61 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -101.42 136.04 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -135.22 151.18 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -91.61 -38.43 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.74 99.89 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.36 19.76 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.93 -40.56 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 -39.04 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 48' ' ' TYR . 60.3 mt -52.73 114.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -76.36 -26.36 55.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.1 p -171.51 152.4 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CZ ' HD12 ' A' ' 45' ' ' ILE . 10.0 m-85 -100.9 156.44 17.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' CG ' HG22 ' A' ' 73' ' ' ILE . 28.7 tt0 -129.81 130.45 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 tp -104.43 129.05 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -126.69 114.36 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -127.51 153.7 46.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.552 HG21 ' CZ3' ' A' ' 71' ' ' TRP . 13.6 t -158.07 147.46 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.512 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 94.8 mt -72.77 129.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.52 ' CD2' HD11 ' A' ' 94' ' ' ILE . 39.6 t80 -109.39 122.87 48.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p -123.99 -49.2 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.63 42.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.4 tp-100 -45.73 153.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' GLN . . . -34.58 -47.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -158.15 132.25 8.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -42.25 -38.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 mm -58.9 -55.62 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -42.78 -62.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.77 -65.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.96 -27.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.45 -55.97 27.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.7 m -83.07 51.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 71' ' ' TRP . 2.6 p -48.17 -37.25 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -38.25 -33.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -70.51 -42.62 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.552 ' CZ3' HG21 ' A' ' 53' ' ' THR . 16.1 m95 -40.36 150.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -87.31 146.0 26.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 49' ' ' GLU . 5.3 mp -136.02 139.28 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 82' ' ' TYR . 70.4 t -131.87 89.65 38.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 59.71 40.43 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 31.1 mt -104.75 107.63 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -116.67 36.28 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 18.9 pm0 -134.7 179.12 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.6 m120 -105.04 13.55 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -167.85 118.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE2' HG12 ' A' ' 74' ' ' VAL . 6.1 t80 -116.0 123.65 48.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -84.09 112.63 20.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 90.0 t -82.47 127.92 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -112.71 146.6 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.16 46.27 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD21 ' CZ ' ' A' ' 93' ' ' TYR . 20.5 mt -112.27 -179.68 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 110.95 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' NE2' HD11 ' A' ' 54' ' ' ILE . 51.0 mt-30 -116.22 139.49 50.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 p -61.44 140.82 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.16 61.54 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -146.93 143.28 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -73.61 146.86 44.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.512 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 13.6 m-85 -149.88 116.11 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.52 HD11 ' CD2' ' A' ' 55' ' ' PHE . 55.1 mt -92.86 125.25 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -111.34 144.72 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.533 HD11 ' CZ3' ' A' ' 71' ' ' TRP . 36.5 mt -142.93 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.432 HG21 ' CE3' ' A' ' 37' ' ' TRP . 71.4 t -86.47 121.92 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -115.03 109.17 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.58 138.21 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.3 mt -125.9 133.51 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -137.42 -176.57 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.1 -72.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.76 -136.29 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.9 p -144.04 152.79 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -130.74 114.32 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.52 120.57 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.9 p -79.03 170.29 16.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.71 151.07 97.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.382 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.2 m -104.44 109.52 21.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -73.52 134.62 43.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 67.3 mt -145.82 141.57 28.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -118.67 151.7 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 33' ' ' ILE . 11.6 p -90.78 171.86 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 39.0 m-20 -83.72 155.09 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.7 m -45.74 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -135.05 161.11 65.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.77 -177.02 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -63.34 133.68 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -85.52 133.41 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.6 m -109.27 95.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.03 -95.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.5 p -174.96 114.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.7 p -121.37 153.86 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -75.22 -60.82 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 72.1 m 34.86 41.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.59 -140.13 4.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -108.55 149.42 28.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -53.72 136.52 39.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 66.8 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.87 96.24 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.18 -115.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -103.11 122.71 45.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 11' ' ' ASP . 29.4 t0 -86.94 33.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -41.52 161.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 15' ' ' ALA . 9.2 tt -97.87 -44.86 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.491 ' C ' ' O ' ' A' ' 13' ' ' LEU . 5.7 t -30.28 -38.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.84 133.34 14.33 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.607 0.718 . . . . 0.0 111.082 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 132.79 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -51.89 140.86 29.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.83 11.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 141.64 45.98 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.85 107.4 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 35' ' ' VAL . 74.2 mt -71.56 110.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -76.86 103.84 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.47 -36.69 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.29 -35.17 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -85.78 -22.9 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 m -57.95 157.18 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -140.85 141.87 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.5 t -131.79 161.26 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 4.4 p-80 -35.59 -70.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.493 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 33.8 p30 -118.83 28.73 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -147.03 149.0 32.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.421 ' CD1' HG23 ' A' ' 115' ' ' THR . 63.3 mt -150.93 134.01 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 m -115.42 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG23 ' CG ' ' A' ' 95' ' ' PHE . 98.4 t -105.17 120.44 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 5.8 m170 -100.78 124.15 46.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.409 ' CE3' HG22 ' A' ' 97' ' ' VAL . 29.0 p90 -118.46 142.02 47.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 39' ' ' SER . 3.2 tp -113.38 141.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 38' ' ' ILE . 3.3 t -138.8 155.13 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.85 -32.32 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -133.69 99.01 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -111.58 -5.67 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.03 -24.86 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -88.62 -44.34 10.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mt -49.21 118.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -62.96 -41.94 99.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -165.84 159.92 16.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.68 155.71 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' HG3' ' CG2' ' A' ' 73' ' ' ILE . 4.5 tp10 -132.17 125.52 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 tp -92.64 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -145.72 114.06 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 30.3 p90 -137.47 165.43 26.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -168.43 147.29 4.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.25 114.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE2' ' NE2' ' A' ' 58' ' ' GLN . 30.5 t80 -90.92 111.64 23.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 p -123.88 171.62 9.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -41.22 115.53 0.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.556 ' NE2' ' CE2' ' A' ' 55' ' ' PHE . 12.3 pt20 -143.75 146.66 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.07 -60.13 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -134.27 146.1 49.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HA ' ' NE2' ' A' ' 58' ' ' GLN . 38.5 t80 -63.82 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ASN . 11.4 mm -64.88 -49.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -45.32 -47.63 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.75 -47.0 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.21 -13.72 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' ILE . 27.7 m-20 -68.59 -29.85 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.24 52.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 2.8 t -47.29 -25.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -52.98 -15.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -85.87 -27.97 24.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.579 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 14.7 m95 -53.66 159.82 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.505 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 2.5 mpp? -99.03 136.18 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.408 ' CG2' ' HG3' ' A' ' 49' ' ' GLU . 4.2 mp -123.84 144.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 74.8 t -132.92 93.56 23.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 179.81 3.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 63.77 46.98 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 29.6 mt -107.58 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -111.41 42.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.99 170.12 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -97.24 15.39 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -172.35 120.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.432 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.1 t80 -112.34 114.97 27.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.1 m -78.7 112.55 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.64 112.46 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -100.82 143.26 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.25 40.8 3.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD21 ' CE1' ' A' ' 93' ' ' TYR . 41.2 mt -102.46 171.57 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.66 137.45 32.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 p -71.04 147.83 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.74 56.61 6.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 92' ' ' ARG . 47.1 m -146.17 151.0 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 111.169 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.429 ' N ' HG23 ' A' ' 91' ' ' THR . 20.1 mtt85 -73.76 150.07 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.462 ' CE1' HD21 ' A' ' 87' ' ' LEU . 18.2 m-85 -153.7 119.69 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 95' ' ' PHE . 64.9 mt -94.81 155.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 97.4 m-85 -141.24 143.4 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 54.5 mt -146.92 105.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.409 HG22 ' CE3' ' A' ' 37' ' ' TRP . 66.0 t -84.24 130.4 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -123.06 114.48 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.89 131.3 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.45 ' N ' HD13 ' A' ' 100' ' ' ILE . 4.6 mp -121.06 145.28 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -151.12 -175.78 5.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -33.55 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -70.97 -57.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 -130.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -154.78 154.14 32.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -139.22 121.32 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -95.18 136.95 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -91.93 176.56 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.84 151.1 95.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 128.8 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.2 m -107.56 111.3 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -72.86 134.72 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 95' ' ' PHE . 91.8 mt -141.88 140.99 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -121.73 140.66 52.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.421 HG23 ' CD1' ' A' ' 33' ' ' ILE . 47.4 p -86.4 175.24 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 117' ' ' SER . 90.0 m-20 -89.62 142.53 27.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 116' ' ' ASN . 29.6 t -33.96 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -135.12 161.67 62.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.569 0.699 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.81 -178.84 2.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.9 109.91 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -109.19 114.43 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.2 p -59.89 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.18 167.77 12.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.04 11.69 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 96.1 p -123.45 -50.54 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -116.28 116.21 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -129.38 106.9 9.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -80.43 -46.69 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.77 -127.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 48.85 40.53 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -120.29 85.46 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.43 40.88 0.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -118.19 83.73 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.26 -127.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.4 mt -138.26 125.9 22.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -41.48 138.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 14' ' ' THR . 23.2 tp -121.5 -10.12 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -31.41 -48.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.19 144.21 46.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 106' ' ' ARG . 54.0 Cg_endo -69.79 123.49 10.14 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -40.42 134.32 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.6 67.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -113.15 100.0 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.44 110.67 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' CZ ' HD11 ' A' ' 25' ' ' LEU . 16.7 mmm-85 -78.61 120.29 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.83 -13.95 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -84.95 -25.87 27.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 HD11 ' CZ ' ' A' ' 22' ' ' ARG . 17.1 mt -96.12 -26.45 15.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.78 129.47 39.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -103.13 167.15 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.98 135.27 41.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.7 m -137.84 155.45 48.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.8 p-80 -36.12 -68.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 17.6 t70 -116.14 39.11 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -161.55 148.49 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.3 mt -156.73 126.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.417 HG23 ' NE2' ' A' ' 36' ' ' HIS . 3.7 m -105.31 119.2 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 95' ' ' PHE . 98.4 t -106.38 116.64 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.417 ' NE2' HG23 ' A' ' 34' ' ' THR . 7.4 m170 -99.09 123.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -116.21 137.38 52.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tp -114.97 133.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.4 p -134.41 150.74 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -78.32 -29.57 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.93 100.39 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.65 21.23 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -98.26 -32.95 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -78.83 -40.76 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 29.8 mt -49.53 120.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -69.07 -41.42 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 p -161.97 161.55 28.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 10.3 m-85 -109.93 146.66 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -121.73 125.15 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 tp -99.1 144.28 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -143.14 115.75 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -128.83 144.49 51.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -153.22 145.78 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.67 134.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -116.74 54.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.33 26.14 43.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.437 ' NE2' ' HB2' ' A' ' 64' ' ' LEU . 6.5 tt0 -51.55 164.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -49.78 -178.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' ALA . 23.9 m-80 -32.22 122.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 62' ' ' ILE . 56.5 t80 -48.36 -61.12 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 61' ' ' PHE . 39.9 mm -33.19 -39.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 m -63.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' HB2' ' NE2' ' A' ' 58' ' ' GLN . 8.7 tp -51.35 -42.77 61.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.05 -32.62 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.446 ' ND2' HG22 ' A' ' 62' ' ' ILE . 30.7 m-20 -62.67 -29.13 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -108.39 77.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.1 m -76.33 51.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -90.71 -30.27 17.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' TRP . 10.8 t -95.83 -39.37 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' SER . 38.7 m95 -34.7 137.45 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.1 mtm -97.15 134.69 40.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.31 145.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 65.0 t -134.37 92.11 21.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -177.24 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.736 2.29 . . . . 0.0 112.32 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.86 51.79 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 37.6 mt -113.47 106.74 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -115.89 41.57 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -135.74 166.87 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.98 10.83 29.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -169.63 124.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -115.76 125.49 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -88.53 108.72 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.46 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -118.27 147.43 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 31' ' ' ASP . . . 94.3 46.9 2.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 48.6 mt -111.65 162.77 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -91.99 128.38 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.2 p -58.88 151.83 20.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.4 64.44 1.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 92' ' ' ARG . 21.6 m -153.47 143.95 22.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.409 ' N ' HG23 ' A' ' 91' ' ' THR . 36.8 mtt180 -72.46 140.03 48.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -142.4 123.13 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 95' ' ' PHE . 28.2 mt -92.95 138.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.478 ' CE1' HD11 ' A' ' 113' ' ' LEU . 87.0 m-85 -125.73 131.19 52.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.419 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 49.0 mt -134.91 105.7 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 51.9 t -84.56 127.76 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -115.55 110.35 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.88 125.56 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 mt -113.74 138.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -143.62 -176.75 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.21 -31.79 65.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 14' ' ' THR . . . -73.6 -69.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.9 -142.18 3.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -134.18 151.03 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 16.7 tpt180 -133.92 106.73 7.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -80.89 123.89 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -79.45 178.58 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -74.66 150.55 86.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.8 Cg_endo -69.83 114.63 3.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 m -100.59 103.7 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -76.92 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.478 HD11 ' CE1' ' A' ' 95' ' ' PHE . 40.7 mt -132.06 169.08 16.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 3.0 mtpm? -135.32 137.28 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 20.1 p -85.52 179.56 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' SER . 77.4 m-20 -93.51 142.47 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' ASN . 2.1 t -36.21 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -135.54 162.5 56.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.522 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.75 -174.75 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.4 112.84 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -119.99 156.93 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.0 t -94.59 124.24 38.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.33 -159.47 8.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -11.72 31.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 p -89.65 -44.31 10.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 -179.91 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -101.32 -55.87 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -46.64 136.16 8.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.03 -124.77 2.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -90.28 47.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -60.24 -51.78 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.9 148.48 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' GLY . 13.0 tp10 -141.33 126.86 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLU . . . -37.19 139.65 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.6 mt -114.6 -176.64 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -100.08 12.49 36.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -84.93 133.76 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' LEU . 4.1 tp -130.92 24.19 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -58.65 -55.56 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . -138.48 152.02 70.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.72 16.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -52.78 133.29 47.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.83 12.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.69 30.13 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.744 2.296 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -123.2 105.48 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.63 109.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -73.67 80.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -53.38 -28.48 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -86.02 -24.87 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.2 m -51.42 144.79 9.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.8 p -130.86 139.15 50.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 114' ' ' LYS . . . -115.19 136.58 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' HIS . 12.6 m -131.14 166.44 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.7 p-80 -35.81 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 54.7 p30 -121.81 38.75 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.67 148.11 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.5 mt -146.8 127.72 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 m -109.14 108.31 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 95' ' ' PHE . 51.2 t -94.68 127.28 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -106.81 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.45 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 24.2 p90 -115.49 142.34 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 tp -116.7 135.24 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 t -135.27 148.33 49.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 19.0 p-10 -79.54 -34.7 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 9.5 m-20 -143.04 105.2 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.97 22.4 12.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -82.93 -38.58 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.6 m -76.48 -41.78 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.2 mt -47.52 114.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -58.99 -35.41 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.2 p -171.57 163.27 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.71 156.93 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.08 149.12 51.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 12.5 tp -126.32 134.55 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -125.59 114.11 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -124.85 144.89 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.482 HG22 ' CE2' ' A' ' 71' ' ' TRP . 7.8 t -161.63 140.77 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.37 125.63 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -97.66 123.53 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -141.21 -178.16 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.0 39.87 3.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -67.49 -46.16 73.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -172.96 174.24 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -44.86 133.08 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -45.35 -45.55 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.71 -52.23 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.0 m -47.97 -55.39 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.44 -56.53 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -52.62 -26.98 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -64.4 -34.65 78.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.7 m -107.18 89.36 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 m -81.61 42.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.48 -32.47 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' TRP . 47.9 t -88.23 -40.98 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.482 ' CE2' HG22 ' A' ' 53' ' ' THR . 40.0 m95 -36.32 143.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.3 mtm -105.09 142.42 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.83 148.03 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 77.9 t -134.43 89.99 25.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.2 47.95 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 19.5 mt -114.9 114.65 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -126.77 35.3 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -128.07 177.43 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 7.3 m120 -102.7 13.85 33.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -171.6 123.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -121.14 123.18 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.1 m -83.1 113.97 20.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.5 t -88.13 129.65 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.89 150.01 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 52.19 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 93' ' ' TYR . 15.4 mt -120.75 169.16 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -94.02 155.62 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 90' ' ' GLY . 86.6 p -80.11 155.33 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 89' ' ' SER . . . 35.73 60.88 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 92' ' ' ARG . 89.8 m -143.59 147.25 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.415 ' N ' HG21 ' A' ' 91' ' ' THR . 55.8 mtt180 -76.18 132.08 39.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.428 ' CE2' HD23 ' A' ' 87' ' ' LEU . 11.2 m-85 -132.81 120.45 21.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.1 mt -91.57 143.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.164 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CD2' HG22 ' A' ' 35' ' ' VAL . 90.2 m-85 -132.97 135.91 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.45 HG23 ' ND2' ' A' ' 107' ' ' ASN . 60.7 mt -139.02 107.63 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.447 HG23 ' CE3' ' A' ' 37' ' ' TRP . 74.0 t -82.98 118.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -109.18 110.16 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.23 124.71 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.32 130.44 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -144.58 175.89 9.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -53.09 -33.86 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.28 -53.6 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.13 -135.74 3.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.4 p -145.49 152.24 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -138.68 117.28 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 107' ' ' ASN . 0.3 OUTLIER -85.73 121.34 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -77.82 175.3 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.79 148.14 98.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.1 m -109.22 100.24 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -75.19 138.17 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' A' ' 95' ' ' PHE . 35.0 mt -136.02 171.62 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 14.9 mtpp -140.73 135.21 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 26.5 p -86.22 179.9 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -112.2 171.65 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -53.19 174.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -77.27 154.71 82.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.42 ' HD3' ' CB ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.74 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.719 2.28 . . . . 0.0 112.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -71.39 122.77 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -68.36 141.91 55.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.2 t -175.03 141.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.18 -117.11 1.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 146.18 59.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 92.7 p -107.51 165.77 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.8 t -47.81 153.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -125.33 177.8 5.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -45.18 169.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 -68.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -136.53 177.59 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -113.88 -58.61 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.14 100.23 1.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -145.7 148.84 33.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.01 178.81 44.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.454 HD12 ' ND2' ' A' ' 17' ' ' ASN . 7.5 mt -92.22 116.17 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -46.98 -38.58 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -70.12 142.43 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 8.4 tt -128.53 -6.2 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 t -38.92 -25.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -146.93 141.82 16.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.539 0.685 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' ND2' HD12 ' A' ' 10' ' ' LEU . 4.6 m120 -54.96 138.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.14 15.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.44 60.16 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -110.18 108.59 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.32 123.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -91.47 97.47 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.06 -21.17 66.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -80.75 -24.81 38.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.03 -30.11 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 143.66 56.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.0 p -120.31 157.71 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.63 132.04 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -129.82 167.15 18.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.509 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 7.9 p-80 -39.3 -68.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 69.7 m-20 -122.65 41.52 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.14 144.04 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.154 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 34' ' ' THR . 12.1 mt -144.13 133.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.426 ' N ' HG21 ' A' ' 33' ' ' ILE . 3.8 m -111.15 102.21 10.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' CD2' ' A' ' 95' ' ' PHE . 57.7 t -87.71 111.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -92.97 119.45 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 35' ' ' VAL . 37.0 p90 -119.06 145.75 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.544 ' CD1' ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -99.84 147.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.56 116.76 19.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -71.24 -42.08 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -142.57 106.37 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ILE . 12.0 pt-20 -100.62 -26.83 13.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -39.04 -32.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -88.86 -38.35 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' GLU . 53.0 mt -62.14 125.51 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 t -81.46 -32.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.4 p -172.78 160.54 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -108.55 152.94 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.29 126.9 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 16.2 tp -97.2 123.76 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -123.74 115.54 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.533 ' CE2' ' HE2' ' A' ' 72' ' ' MET . 7.7 p90 -133.68 161.16 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -163.88 144.47 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 40.2 mt -67.23 121.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -104.47 104.89 14.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 57' ' ' GLY . 70.7 p -105.56 50.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 33.99 85.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 164.25 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.97 -35.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' CG1' ' A' ' 62' ' ' ILE . 13.2 t-20 -161.08 129.8 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -46.59 -27.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.487 ' CG1' ' OD1' ' A' ' 60' ' ' ASN . 14.8 mm -64.91 -48.75 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 t -50.11 -39.3 42.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 tp -80.36 -44.78 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -67.18 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -59.85 -40.4 88.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.8 m -100.28 56.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.594 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 3.7 t -57.29 -32.27 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.93 -16.1 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -85.62 -30.98 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.594 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 13.1 m95 -46.52 157.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.533 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 2.5 mpp? -94.65 137.67 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 73' ' ' ILE . 5.2 mp -125.5 141.86 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 97.1 t -134.62 92.82 19.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -177.41 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 63.22 50.14 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 23.8 mt -112.67 107.68 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -118.69 40.99 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 11.0 pm0 -139.46 177.31 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.407 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 4.2 m120 -102.94 15.9 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -172.57 123.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.425 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.1 t80 -119.43 126.09 50.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.1 m -85.38 106.33 16.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.47 127.86 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -109.5 144.16 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.24 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 93' ' ' TYR . 50.1 mt -109.27 177.47 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.39 145.25 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 p -74.71 147.59 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.75 63.61 2.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 92' ' ' ARG . 52.8 m -153.0 144.16 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.459 ' N ' HG21 ' A' ' 91' ' ' THR . 40.7 mtm-85 -72.04 145.98 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 21.7 m-85 -146.69 116.01 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 95' ' ' PHE . 89.6 mt -90.43 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CD2' HG23 ' A' ' 35' ' ' VAL . 94.4 m-85 -121.88 139.82 53.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.564 HD13 ' CZ3' ' A' ' 71' ' ' TRP . 22.3 mt -141.7 106.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.81 142.08 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -127.0 118.47 24.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -87.25 109.28 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 101' ' ' ASN . 22.2 mt -105.39 139.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.415 ' N ' HG21 ' A' ' 100' ' ' ILE . 45.3 p30 -144.85 -178.09 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -54.25 -36.37 63.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.35 -73.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -155.71 -135.26 1.97 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 p -144.97 154.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -141.75 108.24 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.78 135.87 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -88.26 176.18 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.98 151.24 96.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.78 122.7 9.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.322 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 m -103.21 111.02 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.5 mmm-85 -73.95 141.88 45.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' A' ' 95' ' ' PHE . 55.3 mt -147.75 158.98 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -135.98 142.58 44.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 42.8 p -89.74 176.65 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 117' ' ' SER . 87.9 m-20 -85.22 135.55 33.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ASN . 8.4 m -34.69 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.472 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 7.0 tt0 -135.11 140.68 35.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.509 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.3 Cg_endo -69.74 0.35 5.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.81 157.06 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.68 126.85 53.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -109.54 166.14 11.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -141.13 71.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.81 2.86 3.17 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.682 2.254 . . . . 0.0 112.32 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 124' ' ' PRO . 52.1 m -34.07 129.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 82.9 p -57.88 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -60.92 173.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 140.58 36.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 102.77 2.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -61.32 159.0 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t 43.64 40.94 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.23 123.18 5.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -87.28 142.52 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.78 150.27 18.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.12 110.08 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.29 42.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -95.18 137.79 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 15' ' ' ALA . 18.2 tp -127.21 -6.82 5.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -33.05 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -146.84 143.11 17.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 124.67 11.33 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -49.9 138.88 17.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 131.1 20.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 163.18 39.22 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.287 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -118.96 103.88 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.47 107.68 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -74.46 124.27 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -88.07 -20.25 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.07 -27.88 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.8 mt -89.83 -29.52 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.3 p -63.73 138.19 58.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 60.8 p -118.03 149.05 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.6 132.75 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -124.66 167.36 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.6 p-80 -38.35 -71.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 30.8 p30 -116.71 12.71 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.561 HG23 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -129.29 161.47 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CG1' ' O ' ' A' ' 32' ' ' THR . 25.1 mt -159.4 134.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 33' ' ' ILE . 6.5 m -114.2 107.7 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 95' ' ' PHE . 87.5 t -93.47 130.51 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -109.4 123.34 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.432 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 28.6 p90 -118.33 142.96 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -123.18 133.24 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 t -139.29 159.33 42.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.92 -24.95 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -102.99 31.56 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.31 4.37 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -85.36 -31.89 22.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -90.82 -43.37 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.433 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 88.1 mt -39.27 132.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -79.49 -45.58 19.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.8 p -156.58 156.69 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 8.0 m-85 -105.3 151.43 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -124.26 129.42 50.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 tp -107.55 125.89 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.47 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 30.2 mt-30 -117.29 126.85 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -137.73 145.82 42.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.517 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 11.7 t -155.61 152.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.499 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 22.3 mt -79.55 110.18 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -83.86 106.81 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -124.78 177.89 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.1 51.18 2.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.65 -42.63 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -162.51 148.39 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p-10 -34.5 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -40.41 -40.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.6 mm -60.96 -49.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m -50.36 -46.04 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.5 -47.03 58.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.14 -24.38 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.68 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 m -95.18 45.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.521 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 9.3 p -48.1 -19.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.71 -20.55 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.5 m -87.95 -37.09 16.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.521 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 12.0 m95 -40.31 146.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.426 ' C ' HD11 ' A' ' 73' ' ' ILE . 12.0 mtm -96.78 125.69 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 51' ' ' GLN . 5.3 mm -114.22 158.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 82' ' ' TYR . 94.3 t -134.9 90.42 22.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 175.81 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 63.7 53.08 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 30.9 mt -112.68 106.84 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -114.77 42.97 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -140.44 171.52 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.432 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.4 m120 -98.36 6.54 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -161.53 122.74 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.0 t80 -120.45 118.76 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -81.62 114.09 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.9 131.57 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.561 ' CD2' HG23 ' A' ' 32' ' ' THR . 13.7 m170 -114.03 151.99 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.06 42.45 4.98 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 93' ' ' TYR . 66.4 mt -108.1 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' NE2' HD11 ' A' ' 54' ' ' ILE . 25.8 mt-30 -107.06 146.02 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.4 p -74.09 157.61 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.29 40.89 2.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.5 m -130.62 141.71 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -71.89 148.73 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.56 ' CE1' HD22 ' A' ' 87' ' ' LEU . 20.8 m-85 -151.52 116.85 5.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 47.0 mt -89.86 140.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CD2' HG22 ' A' ' 35' ' ' VAL . 54.3 m-85 -124.96 134.25 52.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 57.3 mt -138.28 107.9 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -83.15 126.43 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -115.42 108.85 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.422 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . . . -80.73 127.91 33.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.36 133.15 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -138.63 -174.96 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.57 -35.43 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -69.84 -59.54 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.05 -137.79 2.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 t -144.43 154.85 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.47 113.07 8.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.4 126.1 30.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p -81.72 177.2 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.99 149.14 87.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.2 Cg_endo -69.84 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.7 m -96.24 110.1 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -72.86 129.91 39.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 95' ' ' PHE . 71.9 mt -142.36 142.62 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -121.8 148.58 44.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 18.7 p -91.21 170.22 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.6 171.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.7 t -52.28 -178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.47 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 29.3 tt0 -81.18 139.49 48.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.598 0.714 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 118' ' ' GLN . 54.1 Cg_endo -69.7 -172.63 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.656 2.238 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -77.29 121.75 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -97.74 152.18 19.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.5 t -168.56 165.33 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -76.2 -166.72 22.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.748 2.298 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.6 p -167.66 133.82 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.0 m 60.31 42.0 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t -166.54 134.31 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -80.47 155.26 27.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.15 70.3 0.52 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -126.98 35.49 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -152.39 -179.09 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -177.78 71.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER 31.83 40.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.38 . . . . 0.0 110.898 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 99.76 -103.47 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -111.89 135.52 52.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.8 42.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.54 170.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' ALA . 10.1 tt -88.62 -38.08 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 13' ' ' LEU . 14.7 t -33.08 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -141.71 136.18 15.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.05 49.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -60.43 141.94 91.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.64 9.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 148.27 64.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -106.29 117.7 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -79.64 117.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 25' ' ' LEU . 40.6 mmm-85 -86.19 123.22 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -88.02 -20.59 25.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -81.74 -20.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' CD1' ' HG3' ' A' ' 22' ' ' ARG . 16.0 mt -99.25 -24.91 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 p -75.03 134.8 41.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 p -105.73 158.96 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.18 133.81 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.2 t -132.64 158.07 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 2.1 p-80 -33.21 -69.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 40.4 p30 -119.3 44.2 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 85' ' ' HIS . 0.7 OUTLIER -161.5 154.97 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 115' ' ' THR . 30.6 mt -156.66 129.76 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -109.51 105.41 14.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.403 HG22 ' CD2' ' A' ' 95' ' ' PHE . 61.1 t -91.38 131.22 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -110.9 121.25 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.476 ' CE3' HG21 ' A' ' 97' ' ' VAL . 19.6 p90 -109.38 141.53 41.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -118.98 137.15 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -136.19 157.22 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.56 -29.26 24.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.58 105.12 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -119.68 21.81 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -90.1 -39.35 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -74.92 -43.62 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.6 mt -45.06 127.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -78.78 -41.11 31.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.1 p -162.19 154.73 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.24 156.89 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.16 126.22 40.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.2 148.62 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.34 114.44 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.462 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 13.1 p90 -129.72 150.0 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.509 HG23 ' CZ2' ' A' ' 71' ' ' TRP . 8.4 t -156.28 156.04 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 HD11 ' NE2' ' A' ' 88' ' ' GLN . 22.9 mt -79.87 124.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 94' ' ' ILE . 74.9 t80 -104.26 105.37 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLY . 2.7 t -142.63 158.2 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' THR . . . -35.17 125.81 0.65 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 59' ' ' ALA . 18.2 tt0 -155.7 157.58 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.463 ' N ' ' HG2' ' A' ' 58' ' ' GLN . . . -33.96 -46.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -174.15 134.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -47.99 -40.65 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.6 mm -59.27 -46.53 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -44.57 -46.56 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.58 -60.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -44.77 -30.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.58 -47.96 81.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -88.36 47.42 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' TRP . 3.6 p -45.27 -33.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -39.5 -30.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -75.2 -40.44 59.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.509 ' CZ2' HG23 ' A' ' 53' ' ' THR . 11.4 m95 -40.98 151.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -91.39 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 74' ' ' VAL . 5.2 mp -130.27 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 82' ' ' TYR . 82.5 t -131.42 94.68 25.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.73 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 10.9 p30 48.34 49.43 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 22.7 mt -104.93 107.64 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.3 42.13 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.408 ' CD ' HG22 ' A' ' 77' ' ' ILE . 14.7 pm0 -140.16 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.471 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -104.83 14.14 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -172.54 122.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.5 t80 -112.53 120.23 40.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.401 ' CG2' HG22 ' A' ' 32' ' ' THR . 7.2 m -84.01 110.94 18.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.9 t -85.54 104.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CD2' HG23 ' A' ' 32' ' ' THR . 18.2 m-70 -96.21 133.01 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.93 34.35 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' CD1' HG13 ' A' ' 33' ' ' ILE . 38.9 mt -94.65 -175.33 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' A' ' 54' ' ' ILE . 59.2 mt-30 -112.51 139.97 47.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 p -63.49 148.62 48.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.7 60.05 2.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -144.45 137.07 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -71.92 143.45 49.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -144.64 118.23 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 55' ' ' PHE . 91.2 mt -94.44 127.29 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 52' ' ' TYR . 92.7 m-85 -111.5 146.35 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 64.6 mt -147.1 107.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.476 HG21 ' CE3' ' A' ' 37' ' ' TRP . 66.2 t -89.42 132.96 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -128.78 111.66 13.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.89 146.21 46.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 101' ' ' ASN . 16.9 mt -132.88 143.59 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.413 ' N ' HG21 ' A' ' 100' ' ' ILE . 35.1 p-10 -150.43 -178.42 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.36 -27.17 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.74 -71.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.21 -139.81 2.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 p -150.88 149.72 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.96 115.73 16.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -84.03 131.83 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -84.48 176.33 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.49 151.06 87.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.445 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.3 Cg_endo -69.74 129.35 17.47 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.0 m -113.7 106.32 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.475 ' CG ' HG12 ' A' ' 94' ' ' ILE . 12.4 mtt85 -73.85 123.13 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.9 mt -131.95 144.7 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.9 149.91 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.457 HG23 ' CD1' ' A' ' 33' ' ' ILE . 19.0 p -93.41 160.95 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -60.61 131.3 50.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.8 m -38.04 -72.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 3.9 tt0 -135.52 141.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.76 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.91 139.29 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -86.09 123.16 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.2 t -117.84 40.05 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.37 67.21 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 117.77 5.28 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -61.66 132.49 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.7 m -108.49 140.33 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -113.85 42.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -38.56 -50.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.36 -147.93 19.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -71.06 81.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -63.52 -36.07 82.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.22 -150.07 18.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -158.25 114.4 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.65 -175.36 34.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 10' ' ' LEU . 4.2 mm? -119.71 -176.36 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.971 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -84.14 31.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.665 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -104.61 135.65 45.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.1 tt -127.95 -7.59 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 1.6 t -37.42 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -143.37 141.29 18.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.75 129.75 18.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.66 134.2 10.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 123.33 10.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 146.17 59.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -107.23 107.34 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.69 114.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -84.28 105.19 14.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.69 -37.16 76.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 10.0 pt-20 -58.19 -37.51 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 16.7 mt -84.28 -27.35 27.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.7 m -54.34 160.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -146.34 137.3 24.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.63 137.87 50.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -129.49 167.08 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 13.8 p-80 -42.2 -64.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' H ' ' CG ' ' A' ' 30' ' ' HIS . 1.4 m-20 -124.71 35.66 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -156.34 154.74 31.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.4 mt -154.68 131.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.0 m -113.93 113.42 24.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.505 HG21 ' CG ' ' A' ' 95' ' ' PHE . 58.2 t -98.33 130.29 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -108.18 125.04 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.466 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 23.4 p90 -115.72 139.17 50.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 39' ' ' SER . 3.3 tp -107.6 139.42 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 38' ' ' ILE . 15.2 p -138.44 149.01 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.45 -31.81 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' OD2' ' CE2' ' A' ' 43' ' ' PHE . 1.1 m-20 -156.38 110.05 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.6 22.14 16.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CE2' ' OD2' ' A' ' 41' ' ' ASP . 1.8 m-85 -81.66 -41.96 20.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 m -74.61 -36.93 62.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.05 122.38 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -65.49 -43.15 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -169.09 161.06 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.41 154.66 19.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG2' ' CG2' ' A' ' 73' ' ' ILE . 10.7 tt0 -124.74 131.61 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 14.7 tp -107.66 120.34 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.459 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 54.8 mt-30 -115.51 119.61 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -131.2 147.64 52.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.578 HG23 ' CH2' ' A' ' 71' ' ' TRP . 15.3 t -155.12 146.32 22.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.451 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.1 mt -75.14 122.04 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.444 ' CD2' HD12 ' A' ' 94' ' ' ILE . 25.4 t80 -106.95 104.83 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.9 p -109.12 78.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 33.54 44.29 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 15.9 mm-40 -56.99 136.07 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' GLN . . . -34.38 -47.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -150.35 139.11 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.1 -28.28 69.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.54 -50.08 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.6 t -46.69 -47.29 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.25 -51.64 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -56.05 -23.55 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.28 -39.31 94.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -98.03 44.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.54 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 5.3 p -49.65 -19.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -22.95 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' TRP . 11.3 t -88.39 -36.18 16.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.578 ' CH2' HG23 ' A' ' 53' ' ' THR . 9.7 m95 -38.24 146.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.3 mtm -99.65 125.61 45.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.467 ' CG2' ' HG2' ' A' ' 49' ' ' GLU . 8.2 mm -113.34 161.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.515 HG12 ' CE2' ' A' ' 82' ' ' TYR . 97.9 t -135.0 88.72 26.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.12 7.18 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 62.96 54.75 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 47.6 mt -112.53 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -118.82 41.61 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -138.8 173.13 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.466 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.0 m120 -99.71 12.77 35.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -171.86 121.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CE2' HG12 ' A' ' 74' ' ' VAL . 5.2 t80 -112.43 123.92 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.471 HG23 ' CD2' ' A' ' 85' ' ' HIS . 10.6 m -89.45 107.74 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -83.52 111.62 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.471 ' CD2' HG23 ' A' ' 83' ' ' THR . 13.1 m-70 -99.71 149.67 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.79 39.89 4.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.412 HD23 ' CE2' ' A' ' 93' ' ' TYR . 45.3 mt -103.7 -179.99 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -99.77 148.88 23.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 p -81.21 141.82 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.79 57.2 16.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 92' ' ' ARG . 55.9 m -147.72 141.98 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.467 ' N ' HG22 ' A' ' 91' ' ' THR . 32.5 mtt180 -71.92 140.79 49.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.451 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 17.1 m-85 -140.83 119.19 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 95' ' ' PHE . 66.8 mt -89.92 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.542 ' CD1' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -129.11 134.62 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 46.1 mt -136.28 109.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 98' ' ' LYS . 57.8 t -82.98 135.46 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' N ' HG12 ' A' ' 97' ' ' VAL . 13.9 ttmt -123.48 129.46 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -99.56 111.22 23.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.7 mt -106.29 130.54 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.431 ' ND2' HD21 ' A' ' 13' ' ' LEU . 20.1 p-10 -136.51 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.49 -38.1 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.82 -72.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.28 -139.7 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 p -140.78 153.89 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -138.28 105.08 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -79.68 130.84 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.5 p -83.52 175.03 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.81 150.81 93.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.7 Cg_endo -69.77 119.77 6.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.7 m -99.92 105.75 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -72.99 127.05 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.542 HD12 ' CD1' ' A' ' 95' ' ' PHE . 89.3 mt -132.33 158.7 41.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.407 ' CG ' ' HG2' ' A' ' 92' ' ' ARG . 28.7 mtpt -132.25 138.99 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 35.3 p -85.41 173.84 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -86.8 152.0 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 p -44.72 -69.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -135.99 163.03 53.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.73 -7.86 22.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -112.33 137.5 50.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -77.63 142.88 38.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 99.6 p -84.6 -38.87 19.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.78 81.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.04 2.3 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.3 m -73.0 126.84 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.1 p -42.29 -48.04 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -41.92 -45.19 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -136.6 163.73 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.61 41.09 44.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -109.31 112.67 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -127.26 -46.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -81.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.14 137.73 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . -134.21 -117.43 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLY . 87.2 mt -37.16 104.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.5 -40.82 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -46.76 140.41 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 22.7 tp -124.97 -10.02 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -35.37 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.15 137.87 18.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.1 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.751 2.301 . . . . 0.0 112.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -41.07 135.83 1.68 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.22 20.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.94 20.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 38' ' ' ILE . 1.7 m -122.27 100.45 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.17 101.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -71.36 125.31 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -88.07 -25.89 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.19 -20.52 48.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 mt -96.77 -26.11 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -74.97 139.18 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 p -114.81 162.63 16.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.412 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -129.62 135.23 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.2 m -129.25 166.01 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 16.1 p-80 -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' H ' ' CG ' ' A' ' 30' ' ' HIS . 36.3 m-20 -124.93 39.48 3.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -160.93 153.45 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' CD1' HG21 ' A' ' 115' ' ' THR . 65.9 mt -153.63 135.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 m -111.75 108.8 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.517 HG22 ' CG ' ' A' ' 95' ' ' PHE . 66.9 t -93.15 125.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -107.82 127.33 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CE3' HG21 ' A' ' 97' ' ' VAL . 26.4 p90 -122.84 148.9 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 20' ' ' SER . 3.8 tt -128.34 147.97 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -139.16 154.57 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.69 -36.79 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.91 99.66 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.9 -25.33 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -45.76 -38.26 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -71.21 -40.85 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 41.0 mt -65.23 116.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -79.1 -24.84 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.9 p -166.75 155.08 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 9.3 m-85 -108.29 153.15 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -127.25 130.38 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 14.7 tp -98.17 150.19 21.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -148.22 114.35 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 19.4 p90 -132.19 153.77 50.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.435 HG23 ' CE2' ' A' ' 71' ' ' TRP . 15.0 t -158.61 140.37 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.528 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 58.7 mt -70.19 116.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -92.43 118.94 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -125.51 169.64 12.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.77 89.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ALA . 6.5 tt0 -129.59 168.27 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -49.12 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' PHE . 3.0 m120 -34.86 126.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 60' ' ' ASN . 26.3 t80 -34.36 -50.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' ASN . 43.3 mm -36.81 -47.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -48.95 -45.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 61' ' ' PHE . 24.3 tp -77.89 -51.01 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.8 t80 -61.99 -17.26 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' ILE . 30.8 m-20 -62.92 -47.19 84.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.4 m -95.23 54.28 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.623 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 54.6 t -52.95 -33.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -41.74 -29.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 m -72.95 -38.47 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.623 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 12.4 m95 -38.17 157.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 11.1 mtm -96.83 123.14 40.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.26 143.08 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.491 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 75.5 t -134.95 96.25 14.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 0.0 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.0 Cg_endo -69.77 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 10.4 p30 48.5 51.85 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 18.4 mt -113.65 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.06 41.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.31 171.4 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.33 11.23 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -166.78 126.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' CZ ' HG13 ' A' ' 74' ' ' VAL . 4.4 t80 -119.76 115.66 24.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -81.64 113.72 19.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.26 117.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.544 ' CD2' ' CG2' ' A' ' 32' ' ' THR . 10.5 m-70 -103.91 135.61 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.82 35.38 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.518 HD21 ' CE1' ' A' ' 93' ' ' TYR . 53.5 mt -99.15 -176.74 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.476 ' NE2' HD12 ' A' ' 54' ' ' ILE . 58.6 mt-30 -112.79 147.25 37.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 p -68.02 150.4 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 37.95 63.58 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.0 m -145.98 143.23 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -71.74 141.19 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.528 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 15.8 m-85 -145.27 114.1 6.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 95' ' ' PHE . 39.1 mt -89.81 141.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.517 ' CG ' HG22 ' A' ' 35' ' ' VAL . 89.6 m-85 -130.71 142.87 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 90.7 mt -149.08 110.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG21 ' CE3' ' A' ' 37' ' ' TRP . 90.5 t -82.05 137.4 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -120.06 108.54 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -76.95 120.71 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.4 mt -110.77 141.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -150.95 -177.95 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.21 -31.14 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -74.74 -72.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.94 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.3 p -137.71 163.32 31.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -146.54 119.1 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.401 ' OD1' HG23 ' A' ' 96' ' ' ILE . 1.7 t-20 -88.13 123.89 33.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -76.61 171.99 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 150.81 97.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.463 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 95.2 m -95.86 104.06 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 129.12 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 95' ' ' PHE . 67.0 mt -136.39 146.13 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -121.98 135.61 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 33' ' ' ILE . 69.1 p -79.49 170.79 16.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 117' ' ' SER . 56.2 m-80 -77.4 131.81 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 116' ' ' ASN . 73.1 m -33.75 -71.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 7.5 tt0 -135.16 140.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.506 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -4.39 13.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -118.01 134.14 55.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 151.54 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.5 m -115.26 36.18 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.1 140.28 5.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.06 24.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.2 t -168.56 158.14 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.2 p -75.93 132.97 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -38.83 131.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -102.79 -48.47 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.4 -53.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' SER . 70.7 m -47.69 112.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.2 m -36.69 -55.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.48 173.79 20.98 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 88.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.2 -95.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.87 102.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.98 35.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -106.03 142.33 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -125.43 -8.67 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -29.96 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.15 131.07 14.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.09 10.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.14 138.18 14.01 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.626 0.727 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 123.84 10.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 162.19 43.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -121.16 108.95 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.447 HG23 ' CG1' ' A' ' 35' ' ' VAL . 93.0 mt -71.52 104.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -70.33 96.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -62.43 -31.64 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.36 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 mt -84.41 -26.89 27.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.6 m -53.98 163.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.6 p -147.43 140.32 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -115.48 134.47 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 20.7 m -127.76 166.88 17.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.2 p-80 -37.44 -71.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.494 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 m-20 -119.23 23.38 11.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.43 156.8 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -156.57 132.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 m -114.82 118.68 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 21' ' ' ILE . 96.7 t -104.8 129.21 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -108.42 119.94 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -109.79 132.37 54.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -103.17 128.98 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -138.72 146.53 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -111.53 83.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -114.98 21.88 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -92.54 -33.07 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -82.05 -44.09 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 88.6 mt -43.6 121.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -64.13 -40.18 95.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -169.16 158.19 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.96 148.59 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -124.54 133.01 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 tp -107.55 135.38 49.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.16 121.12 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 22.0 p90 -133.7 146.83 51.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.401 HG22 ' CE2' ' A' ' 71' ' ' TRP . 4.6 t -155.67 153.55 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.2 mt -78.5 119.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -90.67 117.27 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 50.2 p -123.08 170.27 10.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.99 88.61 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 59' ' ' ALA . 49.1 tt0 -107.81 160.35 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 58' ' ' GLN . . . -41.89 -53.22 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -146.84 143.29 28.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -63.28 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 mm -61.17 -41.83 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -48.84 -37.72 20.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.2 tp -83.57 -59.25 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -46.1 -34.91 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.65 -43.25 97.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m -96.36 77.83 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 68' ' ' VAL . 7.0 m -75.78 52.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -93.81 -32.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' TRP . 8.5 m -88.18 -40.03 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' SER . 42.4 m95 -36.57 130.65 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.6 mtm -89.83 148.81 22.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 74' ' ' VAL . 5.3 mp -133.78 142.63 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.42 ' N ' HG21 ' A' ' 73' ' ' ILE . 89.8 t -134.63 91.54 21.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -177.05 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 62.1 50.06 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.6 mt -109.28 101.41 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -111.43 43.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.68 169.98 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.04 14.79 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -170.24 123.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.5 t80 -121.67 120.48 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.403 HG23 ' CD2' ' A' ' 85' ' ' HIS . 10.6 m -83.45 110.98 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.2 t -81.9 125.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CD2' HG23 ' A' ' 83' ' ' THR . 11.9 m170 -112.17 143.28 43.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.78 42.57 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.506 HD21 ' CE2' ' A' ' 93' ' ' TYR . 19.3 mt -107.5 179.97 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -104.66 139.28 39.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 p -68.78 142.97 54.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.24 62.4 4.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 92' ' ' ARG . 20.6 m -150.37 145.63 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.456 ' N ' HG23 ' A' ' 91' ' ' THR . 56.5 mtt85 -72.11 142.0 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.506 ' CE2' HD21 ' A' ' 87' ' ' LEU . 18.8 m-85 -143.01 124.15 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 95' ' ' PHE . 75.7 mt -99.15 133.78 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' A' ' 113' ' ' LEU . 96.2 m-85 -120.9 142.9 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 52.6 mt -145.54 110.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.5 t -84.44 126.62 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -118.91 112.9 20.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.19 131.23 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 101' ' ' ASN . 5.3 mp -120.51 138.92 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.43 ' N ' HG23 ' A' ' 100' ' ' ILE . 27.4 p-10 -142.4 173.46 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -48.03 -31.6 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.32 -72.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.61 -134.36 1.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.9 t -154.05 156.57 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -139.94 113.34 8.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -80.25 135.12 36.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -87.28 178.96 6.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.48 150.46 86.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.709 0.766 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.441 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 121.5 8.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.3 m -100.21 108.27 20.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -74.23 129.83 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 95' ' ' PHE . 91.7 mt -141.49 140.43 33.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 2.4 mtpm? -118.06 135.73 54.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.0 p -80.87 166.35 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 3.2 m-80 -80.57 138.79 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 116' ' ' ASN . 18.5 m -33.13 -69.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -135.91 162.73 55.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.83 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -63.17 135.96 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -72.04 127.72 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 t -75.99 -63.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.05 -177.69 19.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 164.0 36.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.9 t -70.96 98.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.6 m -64.51 102.03 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -133.0 -58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -168.54 156.81 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 164.83 31.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -174.86 171.34 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -87.05 143.01 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.53 174.92 40.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' GLU . 5.8 tm-20 -129.5 104.74 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.6 -120.21 4.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mp -142.31 164.78 29.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -91.19 31.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -101.56 136.05 42.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 14' ' ' THR . 6.6 tt -129.48 -6.79 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 13' ' ' LEU . 1.5 t -32.86 -40.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.84 143.05 35.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.682 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 125.35 12.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -52.38 138.35 39.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.87 16.66 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.51 105.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 6.0 mmp_? -79.84 126.62 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.25 -27.98 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.54 -25.14 59.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.17 -29.98 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.0 p -71.6 145.08 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -123.88 153.06 41.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -119.62 134.34 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' HIS . 15.0 m -128.84 166.6 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.513 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 4.3 p-80 -35.98 -72.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.496 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.7 m-20 -116.39 11.77 15.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.561 HG21 ' CD2' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -124.81 157.27 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' CG1' ' O ' ' A' ' 32' ' ' THR . 60.6 mt -157.54 130.79 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -110.59 114.5 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG23 ' CD2' ' A' ' 95' ' ' PHE . 87.0 t -102.95 124.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -105.43 126.02 51.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.3 p90 -117.31 133.39 56.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 tp -110.85 128.89 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 142.76 51.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.02 -9.46 30.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -175.16 126.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.32 21.51 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.22 -37.64 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 m -76.43 -44.15 37.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 71.4 mt -50.56 122.43 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.64 -36.2 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 p -163.42 165.64 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.49 171.03 7.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' CD ' ' HG3' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -127.9 145.59 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.579 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 15.5 tp -130.42 119.48 22.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.471 ' NE2' HG12 ' A' ' 73' ' ' ILE . 9.5 mt-30 -122.31 135.83 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.615 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 3.4 p90 -150.3 145.06 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -155.7 151.77 27.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.466 HD11 ' NE2' ' A' ' 88' ' ' GLN . 32.5 mt -69.51 117.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -98.02 105.78 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.46 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -36.29 116.12 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -139.87 170.48 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.07 -57.5 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 39.9 t30 -172.14 122.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' ILE . 37.8 t80 -37.2 -63.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' PHE . 6.6 mm -34.3 -53.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -44.53 -65.95 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.68 -55.25 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.4 -26.33 12.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.97 -47.58 79.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -92.42 53.99 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 2.5 p -53.17 -17.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.27 -20.32 41.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 t -86.12 -34.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.436 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 16.6 m95 -45.73 150.16 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.615 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.5 ptp -92.2 141.47 28.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.471 HG12 ' NE2' ' A' ' 51' ' ' GLN . 5.0 mp -136.94 152.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.5 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 79.3 t -130.35 92.07 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 63.81 46.5 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 52.2 mt -109.07 126.45 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -134.92 40.76 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -135.49 166.45 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -93.48 12.96 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -171.65 124.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.579 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 14.2 t80 -116.03 114.53 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.7 m -77.08 113.41 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.0 t -84.5 131.69 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.561 ' CD2' HG21 ' A' ' 32' ' ' THR . 10.0 m-70 -121.77 130.22 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.51 50.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.603 ' CD2' ' CE2' ' A' ' 93' ' ' TYR . 21.7 mt -119.45 -175.49 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' NE2' HD11 ' A' ' 54' ' ' ILE . 53.2 mt-30 -113.22 139.2 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -63.38 147.43 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.33 55.1 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -141.09 141.14 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 43.0 mtt180 -72.02 154.87 40.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.603 ' CE2' ' CD2' ' A' ' 87' ' ' LEU . 24.6 m-85 -157.05 119.16 3.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.1 mt -91.47 116.33 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 113' ' ' LEU . 73.3 m-85 -99.77 138.37 36.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.6 mt -139.05 105.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.2 t -88.6 139.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' HB3' ' CD ' ' A' ' 49' ' ' GLU . 21.2 ttpp -132.29 130.07 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . . . -92.42 131.39 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -120.42 141.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -152.63 179.9 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.95 -34.51 59.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.82 -71.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.62 -142.69 3.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.5 p -144.59 153.64 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -141.25 111.1 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.52 129.14 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -77.78 179.01 6.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.28 151.12 83.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.66 0.743 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 113.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -99.32 103.91 15.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -72.91 131.08 41.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.496 HD11 ' CD1' ' A' ' 95' ' ' PHE . 78.8 mt -128.56 168.79 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -138.88 131.61 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.2 p -79.76 165.92 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 85.6 m-20 -76.95 168.67 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.1 m -58.14 -71.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -135.17 162.12 59.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.513 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.75 -21.57 33.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -123.03 124.24 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -101.59 141.83 33.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.5 m -119.43 95.31 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -160.93 98.03 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.9 t -121.17 141.58 50.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 m -138.39 127.14 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -79.8 117.86 21.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -128.12 144.23 51.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.31 -107.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -96.15 42.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 68.9 44.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.4 -133.31 3.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -51.3 95.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.49 158.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -155.12 123.62 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.68 49.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.14 174.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 14' ' ' THR . 7.2 tt -110.54 -38.94 5.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.529 ' C ' ' O ' ' A' ' 13' ' ' LEU . 6.1 t -27.03 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -135.47 135.86 23.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.9 20.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -52.86 137.58 45.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.34 15.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 156.79 62.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -112.0 99.98 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.7 mt -64.94 104.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -77.87 127.11 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -88.02 -30.4 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.21 -24.05 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.6 mt -92.85 -30.16 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.97 154.13 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 p -130.77 149.92 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 114' ' ' LYS . . . -116.95 131.39 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 32' ' ' THR . 1.1 t -128.32 166.57 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.505 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 7.9 p-80 -42.28 -68.04 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 1.0 OUTLIER -122.1 37.88 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -161.2 135.64 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.5 mt -137.31 134.3 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -112.35 110.7 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 95' ' ' PHE . 97.2 t -99.17 132.0 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -111.97 124.14 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.455 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.7 p90 -112.16 134.47 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -110.99 129.23 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.8 t -131.11 153.35 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 41' ' ' ASP . 20.0 p-10 -89.7 -31.49 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 2.3 m-20 -131.51 100.78 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -113.38 -33.7 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.27 -31.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -79.6 -45.94 18.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.516 HD13 ' CZ ' ' A' ' 48' ' ' TYR . 69.2 mt -51.63 120.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 -45.22 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.2 p -155.2 158.61 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.516 ' CZ ' HD13 ' A' ' 45' ' ' ILE . 5.6 m-85 -107.19 157.69 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -132.02 133.53 44.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.429 HD12 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 tp -108.56 141.18 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.474 ' HG2' ' CD1' ' A' ' 73' ' ' ILE . 34.7 mt-30 -130.18 116.13 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.05 145.52 50.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.428 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 10.7 t -157.39 143.39 17.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.504 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 33.7 mt -69.31 114.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -95.47 104.71 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -122.76 174.13 7.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.02 104.81 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.7 tt0 -160.0 176.13 12.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -34.29 148.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.2 t-20 -34.24 135.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.03 -42.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.454 HG21 ' ND2' ' A' ' 66' ' ' ASN . 30.5 mm -50.06 -45.13 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -52.92 -59.81 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.56 -56.79 14.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.482 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 12.4 t80 -51.81 -33.16 34.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.454 ' ND2' HG21 ' A' ' 62' ' ' ILE . 27.7 m-20 -59.83 -34.55 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -106.64 67.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.524 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 45.3 t -74.84 61.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.6 -32.12 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' TRP . 52.7 m -88.05 -31.74 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.524 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 24.9 m95 -33.91 133.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.5 mtm -91.97 122.2 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' ' HG2' ' A' ' 51' ' ' GLN . 4.9 mm -110.25 156.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 82' ' ' TYR . 96.5 t -135.0 94.43 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.7 -166.18 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.6 p-10 47.72 54.4 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 16.7 mt -108.9 108.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -118.21 43.25 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.38 166.96 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -87.89 -6.74 57.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -153.87 133.01 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CE2' HG11 ' A' ' 74' ' ' VAL . 9.3 t80 -122.75 129.89 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 m -92.16 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.5 t -78.0 124.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -105.5 149.89 25.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 43.69 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.556 HD23 ' CE1' ' A' ' 93' ' ' TYR . 19.7 mt -106.54 171.06 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -97.76 137.4 36.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.3 p -69.07 149.11 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.32 51.79 9.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -141.91 146.22 35.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.749 0.309 . . . . 0.0 111.149 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -72.69 147.86 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.556 ' CE1' HD23 ' A' ' 87' ' ' LEU . 11.5 m-85 -148.57 119.45 7.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.46 HG12 ' CG ' ' A' ' 112' ' ' ARG . 50.0 mt -89.77 142.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CE2' HD11 ' A' ' 113' ' ' LEU . 91.8 m-85 -128.85 134.98 48.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 20.5 mt -141.09 106.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.455 HG21 ' CE3' ' A' ' 37' ' ' TRP . 73.3 t -83.3 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 21.1 ttpp -128.45 110.85 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.37 136.08 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.3 mt -124.38 131.6 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -138.95 -175.14 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -59.74 -34.3 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.498 ' N ' ' OE1' ' A' ' 102' ' ' GLN . . . -70.47 -55.84 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.77 -133.55 1.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.5 p -149.12 162.96 38.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.385 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.02 113.24 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 98' ' ' LYS . 5.9 m120 -81.08 133.79 35.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.4 p -89.32 177.91 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.91 151.23 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.463 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.7 m -120.22 101.02 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.46 ' CG ' HG12 ' A' ' 94' ' ' ILE . 2.8 mtp-105 -73.31 128.07 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 95' ' ' PHE . 88.1 mt -128.02 150.25 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 31.1 mtpt -117.27 132.18 56.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.2 p -82.56 163.5 21.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 117' ' ' SER . 4.7 m-20 -72.53 139.11 47.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 116' ' ' ASN . 23.1 p -36.79 -68.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -135.09 162.09 59.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.505 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.74 -174.94 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.3 103.18 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -91.16 113.59 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.5 t -106.29 -61.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 136.23 -152.1 21.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.9 p -47.09 -59.48 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t 72.07 43.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -127.71 141.86 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p -62.77 -52.9 61.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.56 126.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -75.94 96.78 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -89.55 144.6 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -78.91 119.6 5.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 7' ' ' GLY . 41.6 tp10 -34.39 -58.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.62 -54.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 10' ' ' LEU . 4.4 mm? -106.66 -24.7 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 11' ' ' ASP . 26.5 t70 43.83 26.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -43.31 153.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 103' ' ' ALA . 8.3 tt -70.43 -40.66 73.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 13' ' ' LEU . 15.2 t -31.72 -37.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -144.42 131.07 10.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.546 0.688 . . . . 0.0 111.091 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 136.93 34.33 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' CG ' ' OD1' ' A' ' 11' ' ' ASP . 12.8 m-20 -57.68 141.64 79.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.88 10.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.22 59.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -103.73 120.82 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.55 120.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -88.35 123.67 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.82 -21.89 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 mt -97.04 -29.28 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.3 p -71.63 147.53 47.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.9 p -123.04 162.67 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.6 137.03 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.7 m -132.31 165.95 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 3.5 p-80 -35.17 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 19.2 p30 -118.2 34.56 5.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.49 154.63 35.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 34' ' ' THR . 70.8 mt -154.96 138.55 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 33' ' ' ILE . 18.9 m -114.02 109.79 19.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.4 t -95.26 136.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.26 119.42 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.7 p90 -112.05 132.11 55.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.98 135.59 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -138.6 139.68 38.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.35 14.99 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.55 120.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.0 pt-20 -132.92 -32.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' GLU . 22.4 m-85 -36.23 -38.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -78.17 -40.29 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' GLU . 48.6 mt -62.2 127.14 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.2 m -81.89 -39.17 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.3 p -163.15 154.28 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.434 ' CZ ' HD13 ' A' ' 45' ' ' ILE . 7.6 m-85 -103.35 153.02 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.29 143.08 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.34 138.99 47.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -135.49 113.96 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 49.0 p90 -129.33 149.84 50.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.558 HG21 ' CH2' ' A' ' 71' ' ' TRP . 14.6 t -154.88 141.43 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.3 117.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 94' ' ' ILE . 33.8 t80 -96.77 113.47 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -121.04 -179.87 4.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.12 43.58 3.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.36 174.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.1 -49.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -172.53 156.29 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.38 -45.61 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 33.6 mm -48.67 -53.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -46.4 -51.24 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -64.19 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -46.79 -24.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -59.6 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 m -102.61 75.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 10.5 p -76.75 43.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -95.06 -34.34 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 71' ' ' TRP . 3.9 m -80.84 -36.54 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.558 ' CH2' HG21 ' A' ' 53' ' ' THR . 20.7 m95 -32.09 146.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.4 ' C ' HD13 ' A' ' 73' ' ' ILE . 3.9 mpp? -93.54 150.81 20.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 74' ' ' VAL . 5.3 mp -141.84 143.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' HG21 ' A' ' 73' ' ' ILE . 99.4 t -133.84 93.54 20.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.67 -179.21 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.94 49.29 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.7 mt -109.82 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -112.54 44.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -141.21 170.75 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -97.23 10.22 40.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -167.3 129.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -123.37 131.4 53.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 m -90.78 106.95 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.3 121.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -106.49 146.08 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 49.13 3.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 93' ' ' TYR . 37.8 mt -111.28 177.24 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -104.57 135.86 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 m -73.55 142.44 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.64 85.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 92' ' ' ARG . 38.3 m -146.29 142.17 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.439 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 38.6 mtt-85 -73.44 139.06 45.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.571 ' CE2' HD22 ' A' ' 87' ' ' LEU . 15.2 m-85 -135.59 120.98 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.575 HD11 ' CD2' ' A' ' 55' ' ' PHE . 84.0 mt -95.25 128.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 96.6 m-85 -116.3 140.92 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.416 HD12 ' CH2' ' A' ' 71' ' ' TRP . 39.8 mt -138.89 107.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -82.93 134.94 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -123.48 129.04 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.34 110.27 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.49 145.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -154.53 179.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -54.08 -34.2 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -71.58 -57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.13 -130.39 1.36 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 p -154.98 151.15 28.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -135.06 110.84 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -81.86 134.1 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -88.06 179.08 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.11 149.91 89.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.68 132.98 24.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -120.29 109.87 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.05 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.3 mt -134.16 155.0 50.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HG3' ' NH1' ' A' ' 92' ' ' ARG . 30.9 mtpt -114.12 124.8 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 10.9 p -79.91 161.98 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 117' ' ' SER . 92.7 m-20 -66.96 126.47 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 116' ' ' ASN . 8.1 m -32.87 -71.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 5.2 tt0 -135.2 140.61 35.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.724 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.524 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.76 -1.09 7.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.643 2.228 . . . . 0.0 112.394 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.42 134.01 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -67.91 117.19 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 123' ' ' GLY . 72.9 p -145.2 138.07 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 122' ' ' SER . . . -34.39 147.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.76 21.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.616 2.211 . . . . 0.0 112.355 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 t -164.5 160.45 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.3 p -89.81 -48.04 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -124.82 105.42 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -91.83 42.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.81 -160.56 2.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -169.47 150.49 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -173.95 118.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' CD ' ' A' ' 8' ' ' GLU . . . 116.95 44.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.539 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' CD ' ' C ' ' A' ' 7' ' ' GLY . 23.4 mp0 -136.49 121.51 18.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.7 80.84 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -138.13 116.98 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.93 -38.04 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.66 142.91 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -133.91 4.61 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -32.4 -54.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.52 161.07 45.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.46 45.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -69.93 139.9 88.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 174.91 8.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -126.6 112.29 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.3 mt -77.32 98.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -71.31 125.46 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.82 -30.32 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.94 -24.27 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.55 -29.51 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.79 140.4 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 29.1 p -123.84 159.23 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 114' ' ' LYS . . . -126.08 146.79 49.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.3 m -138.34 167.31 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.492 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 1.3 p-80 -33.75 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 2.7 p30 -117.53 29.35 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.454 HG22 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -147.57 154.83 41.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 34' ' ' THR . 70.6 mt -153.3 137.8 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 33' ' ' ILE . 6.7 m -114.15 109.28 18.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.19 129.22 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -108.08 119.99 41.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.8 p90 -112.49 136.82 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -116.03 138.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -71.29 -28.67 64.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.5 118.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.71 22.28 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.37 -42.34 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -72.2 -42.74 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.523 HD13 ' CZ ' ' A' ' 48' ' ' TYR . 61.3 mt -53.31 116.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -67.01 -43.26 83.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.7 p -160.71 155.13 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CZ ' HD13 ' A' ' 45' ' ' ILE . 8.8 m-85 -101.71 156.43 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' CD ' HG21 ' A' ' 73' ' ' ILE . 7.2 tt0 -122.51 121.3 36.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -93.43 119.36 32.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -117.81 113.73 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 72' ' ' MET . 4.0 p90 -134.58 158.61 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.519 HG23 ' CE2' ' A' ' 71' ' ' TRP . 13.4 t -162.67 147.6 12.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.473 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 56.3 mt -70.43 120.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -102.85 113.18 26.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.1 p -119.55 -175.78 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.84 99.0 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -120.24 147.93 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.92 -46.75 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.43 134.99 16.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -44.87 -41.56 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASN . 46.5 mm -49.77 -57.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 62' ' ' ILE . 4.8 m -36.36 -54.35 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.45 -57.57 6.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -55.46 -15.74 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' ILE . 10.7 t-20 -62.99 -44.07 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 m -100.7 62.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.632 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 24.2 t -60.74 -32.47 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -45.12 -21.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 68' ' ' VAL . 69.1 m -82.79 -36.19 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 11.7 m95 -39.38 150.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.527 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 8.6 mtm -87.04 127.3 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 74' ' ' VAL . 5.0 mp -119.01 139.74 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' N ' HG23 ' A' ' 73' ' ' ILE . 72.3 t -134.95 89.78 23.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 111.186 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 62.86 47.26 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.8 mt -110.17 125.03 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -135.06 41.69 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pm0 -134.78 -179.74 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -108.73 14.64 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -172.7 121.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.5 t80 -115.89 117.51 30.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.2 m -79.2 111.02 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.02 123.52 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.454 ' CD2' HG22 ' A' ' 32' ' ' THR . 16.9 m170 -108.75 143.94 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.55 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.428 HD23 ' CE1' ' A' ' 93' ' ' TYR . 38.3 mt -106.1 179.29 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.15 158.6 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.6 p -90.06 149.49 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.19 45.64 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 92' ' ' ARG . 80.5 m -135.91 141.55 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.471 ' N ' HG22 ' A' ' 91' ' ' THR . 11.6 mtt85 -71.92 136.26 46.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.473 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.7 m-85 -136.05 114.68 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 79.5 mt -91.51 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 97.5 m-85 -123.66 143.23 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 57.1 mt -145.62 110.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -82.72 136.31 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -125.55 114.81 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.74 131.29 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -124.19 140.06 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -152.75 -179.6 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -52.8 -33.86 50.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 13' ' ' LEU . . . -68.81 -71.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.29 -138.54 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.7 p -150.15 141.82 23.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.88 147.49 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -114.36 129.31 56.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.71 167.87 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -68.39 149.7 97.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.462 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.74 126.45 13.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -108.18 110.44 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -74.42 120.89 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 95' ' ' PHE . 91.7 mt -128.55 161.25 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 11.1 mtpt -141.22 148.76 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.2 p -78.68 177.94 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 44.0 m-20 -85.93 -73.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 42.5 t -171.52 159.84 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.41 ' HG3' ' HD2' ' A' ' 119' ' ' PRO . 3.1 tp60 -74.55 136.32 74.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.1 154.73 37.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -104.98 130.5 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -164.5 155.04 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.16 -142.87 17.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.21 27.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -40.63 -57.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.8 p -66.64 93.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -83.1 -47.57 11.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p 39.99 42.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.9 75.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -125.68 43.31 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 m -112.48 144.0 42.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.68 66.32 0.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 14.8 pt-20 -46.69 171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.16 125.95 8.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' CD2' ' HG3' ' A' ' 8' ' ' GLU . 3.2 mm? -108.5 -52.65 2.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.821 0.343 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 58.87 25.66 13.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -95.08 134.45 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ALA . 18.2 tp -126.06 -7.82 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -35.54 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.44 151.19 39.38 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HB3' ' CG ' ' A' ' 101' ' ' ASN . 53.3 Cg_endo -69.81 126.74 13.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.97 132.53 39.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.18 13.03 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.56 30.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -124.03 110.01 14.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.0 mt -72.07 119.73 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -91.37 108.04 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -71.87 -34.22 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.19 -32.1 73.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.04 -26.0 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.43 162.68 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -146.76 142.09 27.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.79 139.07 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 30' ' ' HIS . 14.4 m -131.7 162.25 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.49 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.4 p-80 -34.02 -67.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 5.6 m-20 -124.72 29.94 6.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.6 OUTLIER -147.08 149.58 33.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.9 mt -149.67 133.23 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.451 HG22 ' CD2' ' A' ' 36' ' ' HIS . 99.6 m -115.86 118.88 34.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' CG ' ' A' ' 95' ' ' PHE . 48.0 t -101.5 133.7 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.451 ' CD2' HG22 ' A' ' 34' ' ' THR . 9.9 m-70 -111.87 122.78 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.455 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 17.5 p90 -113.37 135.81 53.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 tp -106.16 131.76 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -138.62 143.83 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -86.3 -42.79 13.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -115.45 85.44 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -110.31 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.89 -38.14 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -75.54 -41.47 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.509 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 70.2 mt -49.48 112.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -58.79 -43.41 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.2 p -163.92 159.14 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.566 ' CE1' ' HB1' ' A' ' 99' ' ' ALA . 8.1 m-85 -103.83 154.55 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.31 131.34 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 12.7 tp -101.81 145.53 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.13 115.59 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.408 ' CE2' ' HE1' ' A' ' 72' ' ' MET . 37.7 p90 -130.13 146.19 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.556 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 7.1 t -152.07 142.54 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.517 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 69.5 mt -66.76 120.59 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CD1' ' HD2' ' A' ' 92' ' ' ARG . 2.0 t80 -97.79 127.33 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -136.63 -178.48 5.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.8 83.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -107.57 161.86 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.936 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.68 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -175.01 164.52 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.98 -43.07 91.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.42 HG22 ' ND2' ' A' ' 66' ' ' ASN . 25.2 mm -50.0 -46.1 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -51.52 -52.06 50.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -70.36 -64.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -43.42 -27.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' ND2' HG22 ' A' ' 62' ' ' ILE . 24.2 m-20 -62.03 -46.83 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.6 m -87.19 44.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 1.4 p -49.57 -19.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.84 -23.15 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -87.36 -33.16 19.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 16.2 m95 -46.92 140.22 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.408 ' HE1' ' CE2' ' A' ' 52' ' ' TYR . 3.6 mpp? -87.8 146.05 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.59 143.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 82' ' ' TYR . 96.9 t -133.98 94.27 18.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.449 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 53.8 Cg_endo -69.79 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.7 p-10 47.09 53.13 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 14.2 mt -107.83 107.62 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -114.39 43.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -140.0 165.61 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 9.6 m-20 -93.29 13.07 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -173.08 125.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.6 t80 -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -88.92 105.86 18.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.419 HG12 ' CD2' ' A' ' 87' ' ' LEU . 65.2 t -81.79 123.36 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -108.6 151.78 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.77 33.81 9.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' CD2' HG12 ' A' ' 84' ' ' VAL . 64.2 mt -91.26 -175.58 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -109.24 136.91 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.93 149.1 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.59 63.72 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 92' ' ' ARG . 48.5 m -154.26 142.37 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.551 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 15.3 mtt180 -71.75 136.76 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.517 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 15.1 m-85 -137.77 119.85 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.413 HG12 ' HB3' ' A' ' 112' ' ' ARG . 71.2 mt -93.54 132.55 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CG ' HG23 ' A' ' 35' ' ' VAL . 96.5 m-85 -119.46 130.9 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.3 mt -132.03 111.11 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.55 127.08 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -118.71 115.17 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 48' ' ' TYR . . . -84.77 134.67 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.2 mt -119.04 125.92 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.424 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 27.6 p-10 -137.94 -174.97 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.473 ' NE2' ' HG ' ' A' ' 13' ' ' LEU . 4.9 pp0? -59.67 -35.19 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -67.8 -56.2 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.93 -137.03 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 p -140.86 141.12 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -125.74 127.42 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.63 130.73 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -84.24 178.81 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -71.48 148.16 93.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.73 5.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.7 m -108.18 110.29 21.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.413 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -89.84 133.89 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 95' ' ' PHE . 14.6 mt -129.96 174.42 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -140.73 139.65 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.2 p -89.26 -179.67 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -101.17 165.52 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 m -47.82 175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -75.05 154.35 86.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.6 8.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.83 131.1 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -99.62 142.23 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 t -129.9 101.11 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.07 -177.57 31.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.84 29.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.745 2.297 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -53.63 129.5 33.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.9 p -146.39 139.51 25.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -83.94 126.01 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -88.36 -49.43 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 85.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -46.42 104.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -93.16 -51.88 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.16 142.53 10.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mp0 -95.06 -43.42 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.8 -39.51 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.68 133.01 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.39 33.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -86.39 59.82 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 2.1 tt 44.94 41.6 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -35.85 -47.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.14 162.09 12.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 147.58 62.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.28 142.49 81.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 120.9 7.6 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 144.98 55.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.16 117.42 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -82.37 103.73 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -74.47 125.41 28.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -87.75 -18.9 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.92 -23.29 39.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.59 -30.07 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.0 p -64.23 145.48 55.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.6 p -121.58 151.59 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.88 138.0 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' THR . 1.9 t -134.9 163.92 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.9 p-80 -42.82 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.2 m-20 -120.15 35.15 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.512 HG22 ' CD2' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -160.63 147.41 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 32' ' ' THR . 78.1 mt -149.66 133.77 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -109.47 118.5 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 95' ' ' PHE . 48.1 t -104.2 129.13 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -109.27 126.29 53.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -116.24 130.94 57.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -104.95 132.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -139.01 143.22 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.46 -37.11 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.09 93.83 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -122.86 21.1 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.17 -26.08 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 m -87.23 -44.14 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.51 HD12 ' CZ ' ' A' ' 48' ' ' TYR . 88.4 mt -43.24 121.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -66.68 -45.61 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 p -159.89 156.43 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CZ ' HD12 ' A' ' 45' ' ' ILE . 9.1 m-85 -103.17 151.63 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' CG ' HG23 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -123.61 129.15 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 tp -104.9 119.86 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.663 ' NE2' ' HZ3' ' A' ' 98' ' ' LYS . 39.8 mt-30 -114.79 120.34 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE2' ' HE3' ' A' ' 72' ' ' MET . 46.6 p90 -134.98 146.69 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 t -158.48 148.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.442 HD11 ' NE2' ' A' ' 88' ' ' GLN . 69.8 mt -69.56 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CD2' HD11 ' A' ' 94' ' ' ILE . 54.4 t80 -110.18 119.84 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.1 p -126.68 -177.04 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.71 63.28 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -103.93 176.14 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -46.59 169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' ALA . 3.2 m120 -35.41 149.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -53.75 -48.41 69.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.8 mm -41.89 -46.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.0 m -44.12 -70.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 tp -57.93 -52.49 65.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -48.64 -32.16 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.23 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -89.49 45.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.496 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 1.4 p -56.34 -13.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.12 -8.05 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' TRP . 4.8 t -104.94 -39.38 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.496 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 14.9 m95 -35.76 150.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.478 ' HE3' ' CE2' ' A' ' 52' ' ' TYR . 3.4 mpp? -85.99 153.08 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.443 HG23 ' CG ' ' A' ' 49' ' ' GLU . 5.3 mp -146.2 141.77 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 78.6 t -131.92 93.56 26.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.73 -170.32 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 60.9 36.69 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 20.8 mt -99.42 104.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -117.65 37.16 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -132.79 178.22 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -102.55 12.54 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -172.13 125.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' CZ ' HG12 ' A' ' 74' ' ' VAL . 7.7 t80 -115.71 124.72 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -84.39 107.5 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.6 t -80.77 109.61 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.512 ' CD2' HG22 ' A' ' 32' ' ' THR . 7.4 m-70 -100.79 140.58 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.51 41.98 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 42.9 mt -107.03 -175.51 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.442 ' NE2' HD11 ' A' ' 54' ' ' ILE . 55.9 mt-30 -112.36 140.23 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.2 p -67.31 146.43 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.74 54.05 9.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -139.73 140.72 36.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 0.0 111.135 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -72.13 145.46 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -149.14 122.24 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 55' ' ' PHE . 59.5 mt -95.65 127.63 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.492 ' CD2' HG22 ' A' ' 35' ' ' VAL . 84.6 m-85 -113.87 140.21 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.413 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 63.2 mt -142.39 105.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.2 t -83.49 129.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.663 ' HZ3' ' NE2' ' A' ' 51' ' ' GLN . 5.1 ttpm? -122.51 122.91 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . . . -90.71 125.02 35.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 101' ' ' ASN . 5.1 mp -113.74 141.02 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.466 ' ND2' HD22 ' A' ' 13' ' ' LEU . 48.6 p-10 -148.89 -175.02 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.66 -70.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.63 -135.19 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.9 145.8 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -132.16 120.32 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -91.83 132.01 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 t -81.38 171.66 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.03 151.2 95.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.413 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.76 114.87 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.246 . . . . 0.0 112.369 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -99.53 102.56 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -75.18 126.53 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 95' ' ' PHE . 83.9 mt -123.01 161.32 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -136.44 129.65 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -78.99 169.09 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 117' ' ' SER . 25.4 p30 -81.16 138.27 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 116' ' ' ASN . 3.0 m -33.48 -64.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.72 163.14 52.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.76 -175.15 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.745 2.297 . . . . 0.0 112.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 120' ' ' PHE . 1.2 t80 -63.11 131.36 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.4 137.04 42.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 63.8 p -59.48 150.22 27.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.16 -153.2 7.81 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -172.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.2 t -172.9 156.82 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.2 p -115.04 6.4 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -41.19 152.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -154.01 155.94 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.46 75.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -74.5 -52.57 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -61.48 -47.28 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.11 -54.33 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 9' ' ' GLY . 1.1 pm0 -113.67 -41.87 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 8' ' ' GLU . . . 135.45 -137.03 8.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 1.1 pp -141.61 147.05 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.23 -38.31 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 15' ' ' ALA . 1.2 p90 -44.08 150.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.545 ' O ' ' C ' ' A' ' 14' ' ' THR . 2.7 tm? -128.06 -31.16 2.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.545 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -25.01 -45.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -121.86 145.41 43.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 145.54 57.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.06 128.44 87.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 121.29 8.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.03 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.91 108.31 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.4 mt -74.9 115.6 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.175 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.414 ' NH2' ' OE2' ' A' ' 24' ' ' GLU . 11.4 mmm180 -79.31 122.89 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 8.3 pm0 -79.0 -20.66 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.9 mt -96.77 -29.68 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 p -68.81 136.94 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p -111.76 161.94 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.21 136.33 50.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.462 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.6 t -131.85 164.18 26.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.498 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 15.9 p-80 -48.6 -61.19 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 87' ' ' LEU . 26.0 t70 -119.72 28.25 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -154.43 152.67 30.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.476 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 34.4 mt -154.96 127.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 HG23 ' CD2' ' A' ' 36' ' ' HIS . 26.6 m -105.95 119.22 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.519 HG23 ' CG ' ' A' ' 95' ' ' PHE . 92.2 t -106.94 120.26 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.489 ' CD2' HG23 ' A' ' 34' ' ' THR . 11.4 m-70 -100.37 124.32 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -118.95 132.16 56.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 39' ' ' SER . 3.2 tp -100.8 141.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 38' ' ' ILE . 57.1 p -135.67 142.22 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -91.82 -4.53 54.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -173.99 125.76 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.91 3.55 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.78 -31.85 66.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 t -85.61 -33.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HD13 ' CB ' ' A' ' 99' ' ' ALA . 89.7 mt -65.55 113.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -29.29 68.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -173.04 157.01 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.2 m-85 -100.81 155.14 18.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -129.38 131.11 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -102.59 149.4 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -144.6 114.49 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 11.5 p90 -128.98 148.7 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -157.28 142.47 17.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.41 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 49.3 mt -67.59 124.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.546 ' CD2' HD13 ' A' ' 94' ' ' ILE . 38.2 t80 -108.28 107.14 17.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -133.19 80.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.29 150.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -175.18 145.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.07 83.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' PHE . 2.7 t-20 -149.79 111.96 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.6 t80 -34.98 -52.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.2 mm -40.83 -54.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.5 m -38.75 -61.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.55 -58.86 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -47.33 -20.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.57 -43.2 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.28 64.67 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.558 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 21.4 m -62.0 -12.44 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.25 -28.88 68.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t -81.9 -29.05 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 16.6 m95 -54.05 163.4 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 12.7 mtm -108.36 126.94 53.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 74' ' ' VAL . 4.5 mp -117.96 143.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.446 ' N ' HG21 ' A' ' 73' ' ' ILE . 48.2 t -131.7 94.11 26.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 62.13 50.39 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.411 HG21 ' NE2' ' A' ' 79' ' ' GLN . 3.8 mt -109.96 106.25 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.14 38.39 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 14.9 pm0 -133.97 -178.54 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -107.21 12.87 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -172.53 122.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.5 t80 -113.4 119.59 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.4 m -81.21 110.39 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 109.47 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.463 ' CE1' HG23 ' A' ' 32' ' ' THR . 29.1 m-70 -96.49 149.3 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.49 38.29 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 93' ' ' TYR . 13.9 mt -103.44 174.79 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.49 147.01 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -81.56 143.42 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.8 48.54 61.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 92' ' ' ARG . 36.0 m -140.55 144.26 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.446 ' N ' HG21 ' A' ' 91' ' ' THR . 76.4 mtt-85 -72.3 147.08 46.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.527 ' CE2' HD23 ' A' ' 87' ' ' LEU . 16.3 m-85 -146.7 120.59 9.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.546 HD13 ' CD2' ' A' ' 55' ' ' PHE . 91.3 mt -91.8 133.36 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 113' ' ' LEU . 41.5 m-85 -120.81 132.17 54.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 62.9 mt -137.39 105.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.8 t -83.19 137.81 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -126.81 123.19 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . . . -93.3 126.87 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -113.08 130.69 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -136.91 -177.95 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.28 -33.66 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 14' ' ' THR . . . -70.94 -72.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.2 -143.09 3.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -134.84 145.62 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -131.65 108.79 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -83.79 127.99 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -78.09 177.37 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.74 151.27 84.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.461 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.77 119.53 6.46 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.0 m -101.73 110.44 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -73.45 136.2 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 95' ' ' PHE . 95.9 mt -140.11 154.2 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -130.55 135.12 47.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.2 p -84.07 172.94 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 26.4 p30 -86.07 145.8 26.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -40.48 -68.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -135.17 162.6 56.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.498 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.73 -177.67 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.29 108.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -82.7 122.23 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 m -53.08 118.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.55 114.15 6.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -5.57 16.49 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.3 p -65.71 116.89 7.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.7 m -57.87 -57.72 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -138.0 114.87 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -128.31 140.17 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -172.42 20.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m 39.26 40.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -72.61 -54.08 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.02 64.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -159.92 149.91 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.388 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.03 -89.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.34 150.63 50.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.63 44.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.23 166.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ALA . 2.0 tm? -99.95 -40.66 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 13' ' ' LEU . 15.3 t -31.58 -36.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -142.86 137.82 15.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 142.01 46.56 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -62.66 138.08 96.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.26 13.07 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.22 61.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -110.79 104.22 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mt -70.05 105.51 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.468 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 25.8 mmm-85 -74.97 121.99 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -87.45 -14.31 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.62 -26.68 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD12 ' CZ ' ' A' ' 22' ' ' ARG . 28.8 mt -90.86 -27.01 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 p -65.08 148.62 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -122.02 149.9 42.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.09 132.41 54.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -131.47 165.37 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.5 p-80 -39.87 -68.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.47 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 82.0 m-20 -120.45 35.49 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -154.81 148.38 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 HD13 ' CG2' ' A' ' 115' ' ' THR . 91.3 mt -151.0 137.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.1 m -117.32 118.93 33.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.497 HG22 ' CG ' ' A' ' 95' ' ' PHE . 97.3 t -105.39 127.93 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 3.3 m170 -106.72 126.8 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.9 p90 -117.38 132.51 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tp -110.96 136.43 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 p -132.5 156.26 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.35 -35.13 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.33 115.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -103.03 13.14 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.06 -22.67 59.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.61 -39.62 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.434 ' CD1' ' HB1' ' A' ' 99' ' ' ALA . 62.7 mt -60.24 136.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.35 -39.9 18.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.5 p -158.71 158.42 33.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -109.66 163.45 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.13 135.76 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 84' ' ' VAL . 14.9 tp -109.3 124.4 50.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.541 ' CE2' ' HE2' ' A' ' 72' ' ' MET . 25.2 p90 -130.73 145.45 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 t -155.83 145.21 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 28.6 mt -72.73 125.07 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -108.21 114.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.1 p -120.14 -66.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.1 38.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -62.02 -50.39 72.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -173.18 -177.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -44.3 167.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -70.76 -67.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.6 mm -42.07 -55.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 3.8 p -38.16 -58.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' ASN . 5.6 tp -71.72 -63.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -40.0 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' LEU . 12.1 t-20 -66.47 -53.86 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.8 m -62.89 -34.03 76.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.523 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 1.4 p 32.02 35.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 67' ' ' SER . 1.7 p30 -88.26 -50.4 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' TRP . 13.6 m -66.88 -38.11 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.486 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 38.9 m95 -37.21 143.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.541 ' HE2' ' CE2' ' A' ' 52' ' ' TYR . 3.4 mpp? -100.2 143.05 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.92 142.97 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 76.0 t -132.58 92.58 26.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 62.85 53.6 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 74' ' ' VAL . 25.5 mt -113.66 104.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -113.26 40.17 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.7 172.72 12.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -98.27 10.29 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -171.05 126.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -116.3 125.52 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -86.77 106.57 17.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 50' ' ' LEU . 57.4 t -80.64 111.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -97.87 147.22 24.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.65 42.8 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 93' ' ' TYR . 17.0 mt -104.95 -178.59 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -106.86 142.06 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.66 136.27 35.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.32 46.25 87.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.9 m -141.77 146.4 35.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -73.61 133.95 43.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.484 ' CE2' HD22 ' A' ' 87' ' ' LEU . 12.2 m-85 -134.71 119.01 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 95' ' ' PHE . 30.5 mt -90.78 138.51 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 113' ' ' LEU . 71.1 m-85 -123.97 137.78 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.428 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 39.2 mt -143.96 107.13 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.2 t -83.73 140.91 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.531 ' CD ' HD12 ' A' ' 100' ' ' ILE . 12.2 ttmt -127.05 118.8 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.434 ' HB1' ' CD1' ' A' ' 45' ' ' ILE . . . -87.71 110.74 20.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.531 HD12 ' CD ' ' A' ' 98' ' ' LYS . 5.2 mp -103.66 141.16 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -150.25 179.34 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -54.86 -26.6 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.77 -70.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.43 -137.07 2.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 p -147.11 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -131.96 111.1 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.25 126.41 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.2 t -78.82 178.56 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.35 150.84 82.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.428 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 116.45 4.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 96.1 m -97.85 106.51 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -75.9 122.41 24.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 95' ' ' PHE . 87.3 mt -125.7 160.99 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -135.09 131.56 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.415 ' CG2' HD13 ' A' ' 33' ' ' ILE . 13.0 p -82.32 172.74 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' SER . 8.4 p30 -90.44 139.47 30.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASN . 38.3 p -36.7 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.86 161.15 65.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.405 ' HB3' ' ND1' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.79 -0.65 7.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -62.92 153.49 33.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -107.11 109.8 21.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.4 t -113.13 146.01 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 118.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 120.08 6.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 144.24 30.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -160.57 176.46 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -106.18 -60.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -145.41 166.52 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.52 107.04 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -125.83 82.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -128.28 91.71 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.18 66.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.8 112.94 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.54 -78.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.5 mm? -85.65 118.25 25.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.85 41.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -107.99 136.49 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.462 HD22 ' ND2' ' A' ' 101' ' ' ASN . 4.4 tt -130.71 -5.26 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 13' ' ' LEU . 1.8 t -32.88 -45.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.5 142.46 39.4 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 111.082 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.0 137.13 26.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.82 16.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.45 24.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -125.53 107.34 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.98 119.96 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -93.07 122.06 35.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.64 -33.72 25.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.86 -25.18 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -94.34 -27.08 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -71.65 144.43 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.3 p -120.48 158.52 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.73 138.41 54.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 5.3 t -133.82 160.8 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 6.5 p-80 -37.91 -68.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 27.0 m-20 -120.03 38.03 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.7 m -160.41 155.16 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' CD1' HG21 ' A' ' 115' ' ' THR . 87.1 mt -153.2 137.96 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -115.12 104.74 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.64 128.72 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.5 124.19 50.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.6 p90 -116.55 136.78 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 tp -108.01 132.56 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -128.86 139.34 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.64 -27.8 45.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -142.11 106.7 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.82 22.54 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.63 -42.12 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -75.33 -41.73 56.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -49.37 112.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -65.37 -36.33 83.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.7 p -167.13 156.89 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -101.12 155.51 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -129.71 134.77 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -106.95 135.82 47.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -131.32 116.49 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 27.9 p90 -140.09 146.38 38.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -154.59 139.12 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.518 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 51.8 mt -59.3 107.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -66.02 105.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -127.61 -36.53 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.97 -116.53 4.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 44.02 24.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -179.85 106.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 61' ' ' PHE . 9.3 m120 -33.37 124.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 60' ' ' ASN . 18.0 t80 -30.67 -51.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 66' ' ' ASN . 40.6 mm -58.2 -52.78 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 60' ' ' ASN . 40.2 t -59.73 -60.0 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 59' ' ' ALA . 5.1 tp -51.23 -38.27 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -74.61 -30.16 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 62' ' ' ILE . 25.6 m120 -59.9 -57.15 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.9 m -80.27 46.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 2.1 p -49.21 -17.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -43.69 -31.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' TRP . 31.3 m -79.47 -44.11 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.501 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 16.2 m95 -36.43 154.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 15.0 ttm -86.21 145.96 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 74' ' ' VAL . 5.4 mp -144.15 138.76 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.478 ' N ' HG23 ' A' ' 73' ' ' ILE . 76.1 t -128.72 96.32 30.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 63.7 54.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.0 mt -113.7 110.62 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -122.3 42.97 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 82' ' ' TYR . 13.1 pt20 -141.45 163.81 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.81 13.44 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -171.59 122.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.447 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 6.2 t80 -115.5 126.54 54.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.414 HG23 ' NE2' ' A' ' 85' ' ' HIS . 24.5 m -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.523 HG12 ' CE2' ' A' ' 52' ' ' TYR . 57.4 t -91.13 111.95 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.414 ' NE2' HG23 ' A' ' 83' ' ' THR . 17.3 m-70 -95.31 149.57 21.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.91 5.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.6 mt -100.55 -174.88 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -110.1 136.06 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -73.21 134.46 44.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.23 60.35 8.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -151.64 144.6 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 111.157 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -71.86 146.69 47.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 8.8 m-85 -147.17 116.67 7.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.2 mt -91.58 118.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 113' ' ' LEU . 75.0 m-85 -107.83 139.96 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 21.3 mt -144.11 105.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.52 136.49 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -132.05 113.48 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.49 144.95 41.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.8 mt -131.8 135.18 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.462 ' ND2' HD22 ' A' ' 13' ' ' LEU . 49.7 p-10 -146.01 167.48 23.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -42.08 -38.88 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' A' ' 13' ' ' LEU . . . -65.65 -71.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.01 -135.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 m -155.43 152.09 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -135.15 125.89 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -95.08 134.83 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -85.71 177.11 7.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.01 151.45 86.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.441 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 54.1 Cg_endo -69.75 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.8 m -105.49 107.41 18.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -73.91 120.13 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.52 HD11 ' CD1' ' A' ' 95' ' ' PHE . 31.0 mt -127.98 160.99 30.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -135.6 150.06 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.442 HG21 ' CD1' ' A' ' 33' ' ' ILE . 24.1 p -95.59 167.59 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -74.28 163.18 28.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.0 t -58.01 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -136.09 158.42 73.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.82 -62.3 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.304 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.437 ' H ' ' HG2' ' A' ' 119' ' ' PRO . 9.9 m-85 -123.1 158.56 30.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.1 tmtt? -119.48 110.81 17.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 121' ' ' LYS . 6.1 m -34.31 141.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.839 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.92 118.47 3.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.45 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 5.57 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -137.35 167.58 21.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -110.09 97.06 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -53.88 -48.11 70.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -118.61 42.42 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.32 -63.34 2.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -125.29 146.33 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -108.81 119.96 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 -153.43 16.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -98.64 172.46 7.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.07 -129.96 2.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mt -146.23 143.76 29.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -118.28 -9.78 10.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.613 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.42 -167.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.613 ' N ' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tt -73.0 45.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -57.02 -24.74 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.66 161.03 3.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.523 0.677 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 147.47 62.91 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.33 137.48 93.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 124.97 11.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 150.78 68.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.381 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -105.74 104.87 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.4 mt -71.68 106.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -76.96 104.33 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HG2' ' CG2' ' A' ' 111' ' ' THR . 59.5 mt-10 -69.66 -35.25 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.28 -35.86 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 mt -84.82 -23.61 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 m -57.92 159.55 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.8 p -142.94 140.65 31.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' O ' ' ND2' ' A' ' 116' ' ' ASN . . . -116.16 138.63 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' THR . 1.3 t -129.63 164.35 24.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.487 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 24.4 p-80 -44.65 -58.31 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' CD2' ' A' ' 30' ' ' HIS . 31.9 p30 -127.15 35.12 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.6 OUTLIER -157.91 153.78 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 66.1 mt -152.98 129.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -113.18 118.78 35.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.1 t -101.39 136.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -113.93 123.47 49.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.424 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 27.3 p90 -118.99 133.74 55.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 tp -109.39 135.26 48.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -138.67 143.39 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -84.97 -41.2 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.98 94.09 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 21.06 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.88 -30.38 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -81.68 -41.02 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.6 mt -46.84 113.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 t -63.56 -31.72 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.3 p -172.31 158.67 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.27 163.78 12.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' CD ' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -140.34 125.8 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 13.5 tp -101.62 118.21 36.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' CG ' ' OE1' ' A' ' 49' ' ' GLU . 69.2 mt-30 -111.91 114.0 26.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 10.2 p90 -128.86 158.1 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 HG22 ' CE2' ' A' ' 71' ' ' TRP . 13.3 t -162.49 146.99 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.512 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 37.1 mt -72.02 120.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CD2' HD13 ' A' ' 94' ' ' ILE . 49.6 t80 -97.26 105.15 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' GLY . 1.1 t -149.2 152.8 36.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 34.41 80.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -147.15 109.0 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.934 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.08 73.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.2 p-10 -147.82 129.02 14.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 37.2 t80 -37.12 -50.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 45.4 mm -39.13 -61.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -42.72 -43.99 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.93 -64.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 5.7 t80 -46.92 -20.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -60.02 -54.83 41.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -88.5 48.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.584 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 2.2 t -50.94 -23.0 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.95 -17.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -87.98 -36.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 12.1 m95 -39.28 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.441 ' HE3' ' CE2' ' A' ' 52' ' ' TYR . 3.5 mpp? -96.07 155.56 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 74' ' ' VAL . 5.3 mp -141.52 138.31 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' N ' HG23 ' A' ' 73' ' ' ILE . 86.0 t -134.35 92.33 20.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.647 2.232 . . . . 0.0 112.394 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 63.39 46.53 4.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.3 mt -109.44 100.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -110.26 37.38 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -133.38 174.85 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.7 m120 -96.47 -2.5 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -158.72 122.29 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -115.05 124.8 52.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -87.46 118.43 26.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.8 t -92.16 119.54 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -104.66 145.32 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.48 45.85 2.26 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 93' ' ' TYR . 13.6 mt -111.19 177.28 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -103.32 140.56 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.59 144.49 37.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.89 43.37 99.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 92' ' ' ARG . 38.9 m -141.53 144.58 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.466 ' N ' HG22 ' A' ' 91' ' ' THR . 54.7 mtt-85 -71.77 150.01 44.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.512 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 13.3 m-85 -149.48 115.9 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.464 HD13 ' CD2' ' A' ' 55' ' ' PHE . 79.2 mt -90.35 143.91 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.543 ' CD2' HD11 ' A' ' 113' ' ' LEU . 97.6 m-85 -131.49 142.16 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.568 HD13 ' CH2' ' A' ' 71' ' ' TRP . 86.0 mt -145.11 108.77 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.406 HG22 ' CE3' ' A' ' 37' ' ' TRP . 97.1 t -83.46 121.46 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -117.09 110.71 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.79 135.8 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -119.04 134.49 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 42.3 p30 -140.69 -175.36 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 102' ' ' GLN . 18.8 tp60 -57.76 -35.53 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 101' ' ' ASN . . . -69.58 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.23 -134.01 1.61 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 93.2 p -142.47 149.82 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -129.74 107.18 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.553 ' C ' ' ND2' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -83.21 131.97 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.5 p -85.34 178.38 7.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.75 150.98 86.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.457 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.1 Cg_endo -69.81 116.74 4.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.47 ' CG2' ' HG2' ' A' ' 23' ' ' GLU . 52.0 m -96.41 107.71 20.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' NH2' ' CZ ' ' A' ' 55' ' ' PHE . 10.3 mmt85 -73.51 126.47 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.543 HD11 ' CD2' ' A' ' 95' ' ' PHE . 71.1 mt -135.93 146.97 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 17.1 mtpt -120.69 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 20.0 p -82.93 158.16 22.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 24.1 m-80 -66.01 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 116' ' ' ASN . 34.4 t -33.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.477 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 14.6 tt0 -134.98 139.82 33.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.487 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.75 -177.16 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.01 141.69 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.26 125.3 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 p -74.14 114.07 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.39 -151.88 23.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.12 2.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 t -40.62 -42.49 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.5 p -159.6 144.88 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.596 0.712 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.93 26.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -54.34 139.45 56.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 127.73 15.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 160.12 50.87 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.493 ' HB2' HG23 ' A' ' 38' ' ' ILE . 3.1 m -113.48 101.04 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.417 HD11 ' H ' ' A' ' 97' ' ' VAL . 93.2 mt -70.8 103.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -76.37 124.79 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.85 -23.18 24.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.92 -25.9 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 mt -91.73 -28.89 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.6 p -65.56 145.53 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 33' ' ' ILE . 81.7 p -121.69 156.56 32.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -126.37 126.29 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' HIS . 2.9 t -122.42 166.46 14.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.511 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.2 p-80 -34.66 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 11.3 p30 -121.06 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.71 136.55 15.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 115' ' ' THR . 71.7 mt -132.25 135.49 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -111.43 102.66 11.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -89.07 137.35 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -115.54 127.41 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.457 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 26.2 p90 -120.86 123.61 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.7 tp -101.42 136.04 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -135.22 151.18 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -91.61 -38.43 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.74 99.89 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.36 19.76 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.93 -40.56 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 -39.04 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 100' ' ' ILE . 60.3 mt -52.73 114.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -76.36 -26.36 55.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.1 p -171.51 152.4 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.9 156.44 17.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' CG ' HG23 ' A' ' 73' ' ' ILE . 28.7 tt0 -129.81 130.45 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 tp -104.43 129.05 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -126.69 114.36 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -127.51 153.7 46.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -158.07 147.46 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.526 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 94.8 mt -72.77 129.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 94' ' ' ILE . 39.6 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 49' ' ' GLU . 5.3 mp -136.02 139.28 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.722 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 70.4 t -131.87 89.65 38.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 59.71 40.43 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 74' ' ' VAL . 31.1 mt -104.75 107.63 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -116.67 36.28 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 18.9 pm0 -134.7 179.12 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.457 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.6 m120 -105.04 13.55 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -167.85 118.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.722 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.1 t80 -116.0 123.65 48.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -84.09 112.63 20.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.639 HG21 ' HE2' ' A' ' 95' ' ' PHE . 90.0 t -82.47 127.92 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -112.71 146.6 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.16 46.27 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 93' ' ' TYR . 20.5 mt -112.27 -179.68 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 110.95 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -116.22 139.49 50.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 p -61.44 140.82 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.16 61.54 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -146.93 143.28 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -73.61 146.86 44.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.526 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 13.6 m-85 -149.88 116.11 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 55' ' ' PHE . 55.1 mt -92.86 125.25 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.639 ' HE2' HG21 ' A' ' 84' ' ' VAL . 60.5 m-85 -111.34 144.72 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 mt -142.93 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.417 ' H ' HD11 ' A' ' 21' ' ' ILE . 71.4 t -86.47 121.92 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -115.03 109.17 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.58 138.21 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 45' ' ' ILE . 22.3 mt -125.9 133.51 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -137.42 -176.57 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.1 -72.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.76 -136.29 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.9 p -144.04 152.79 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -130.74 114.32 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.52 120.57 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.9 p -79.03 170.29 16.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.71 151.07 97.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.382 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.2 m -104.44 109.52 21.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.655 ' O ' HD23 ' A' ' 113' ' ' LEU . 31.7 mtm-85 -73.52 134.62 43.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' ARG . 67.3 mt -145.82 141.57 28.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -118.67 151.7 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.587 HG23 HD11 ' A' ' 33' ' ' ILE . 11.6 p -90.78 171.86 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 39.0 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.607 0.718 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 132.79 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -51.89 140.86 29.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.83 11.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.71 141.64 45.98 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.85 107.4 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.56 110.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -76.86 103.84 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.47 -36.69 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.29 -35.17 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -85.78 -22.9 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 m -57.95 157.18 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -140.85 141.87 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.893 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.5 t -131.79 161.26 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 4.4 p-80 -35.59 -70.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 33.8 p30 -118.83 28.73 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -147.03 149.0 32.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.773 HD11 ' CG2' ' A' ' 115' ' ' THR . 63.3 mt -150.93 134.01 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 m -115.42 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.635 HG21 ' CG ' ' A' ' 95' ' ' PHE . 98.4 t -105.17 120.44 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 5.8 m170 -100.78 124.15 46.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -118.46 142.02 47.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 39' ' ' SER . 3.2 tp -113.38 141.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 38' ' ' ILE . 3.3 t -138.8 155.13 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.85 -32.32 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -133.69 99.01 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -111.58 -5.67 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.03 -24.86 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -88.62 -44.34 10.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.766 HD13 ' HB1' ' A' ' 99' ' ' ALA . 42.6 mt -49.21 118.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -62.96 -41.94 99.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -165.84 159.92 16.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.68 155.71 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 73' ' ' ILE . 4.5 tp10 -132.17 125.52 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 tp -92.64 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -145.72 114.06 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 30.3 p90 -137.47 165.43 26.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -168.43 147.29 4.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.25 114.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.2 mp -123.84 144.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 82' ' ' TYR . 74.8 t -132.92 93.56 23.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.82 179.81 3.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 63.77 46.98 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.556 HD11 ' O ' ' A' ' 74' ' ' VAL . 29.6 mt -107.58 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -111.41 42.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.99 170.12 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -97.24 15.39 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -172.35 120.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.1 t80 -112.34 114.97 27.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.1 m -78.7 112.55 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.64 112.46 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -100.82 143.26 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.25 40.8 3.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 93' ' ' TYR . 41.2 mt -102.46 171.57 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.66 137.45 32.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 p -71.04 147.83 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.74 56.61 6.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.1 m -146.17 151.0 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -73.76 150.07 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.568 ' CE1' HD22 ' A' ' 87' ' ' LEU . 18.2 m-85 -153.7 119.69 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 95' ' ' PHE . 64.9 mt -94.81 155.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.878 ' CD2' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -141.24 143.4 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 110' ' ' PRO . 54.5 mt -146.92 105.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.475 HG12 ' HG3' ' A' ' 19' ' ' PRO . 66.0 t -84.24 130.4 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' HD12 ' A' ' 100' ' ' ILE . 31.5 ttpt -123.06 114.48 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.89 131.3 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 98' ' ' LYS . 4.6 mp -121.06 145.28 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -151.12 -175.78 5.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.424 ' CD ' ' H ' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -58.75 -33.55 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.97 -57.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 -130.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -154.78 154.14 32.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 7.6 tpm_? -139.22 121.32 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -95.18 136.95 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -91.93 176.56 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.84 151.1 95.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.673 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 128.8 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.2 m -107.56 111.3 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -72.86 134.72 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.878 HD12 ' CD2' ' A' ' 95' ' ' PHE . 91.8 mt -141.88 140.99 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -121.73 140.66 52.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.893 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 47.4 p -86.4 175.24 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 106' ' ' ARG . 54.0 Cg_endo -69.79 123.49 10.14 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -40.42 134.32 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.6 67.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.7 m -113.15 100.0 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.44 110.67 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -78.61 120.29 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.83 -13.95 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -84.95 -25.87 27.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.12 -26.45 15.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.78 129.47 39.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -103.13 167.15 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -134.98 135.27 41.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.7 m -137.84 155.45 48.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.8 p-80 -36.12 -68.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 32' ' ' THR . 17.6 t70 -116.14 39.11 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -161.55 148.49 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 115' ' ' THR . 33.3 mt -156.73 126.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 m -105.31 119.2 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 95' ' ' PHE . 98.4 t -106.38 116.64 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -99.09 123.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.6 p90 -116.21 137.38 52.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 20' ' ' SER . 3.2 tp -114.97 133.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.4 p -134.41 150.74 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -78.32 -29.57 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.93 100.39 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.65 21.23 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -98.26 -32.95 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -78.83 -40.76 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.757 HD13 ' HB1' ' A' ' 99' ' ' ALA . 29.8 mt -49.53 120.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -69.07 -41.42 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 p -161.97 161.55 28.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.502 ' OH ' HD12 ' A' ' 45' ' ' ILE . 10.3 m-85 -109.93 146.66 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -121.73 125.15 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 82' ' ' TYR . 16.4 tp -99.1 144.28 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -143.14 115.75 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -128.83 144.49 51.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -153.22 145.78 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.0 mt -68.67 134.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 94' ' ' ILE . 42.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.1 mtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.31 145.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 65.0 t -134.37 92.11 21.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.78 -177.24 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.736 2.29 . . . . 0.0 112.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.86 51.79 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.576 HD11 ' O ' ' A' ' 74' ' ' VAL . 37.6 mt -113.47 106.74 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -115.89 41.57 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -135.74 166.87 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.98 10.83 29.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -169.63 124.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 10.9 t80 -115.76 125.49 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -88.53 108.72 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.46 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -118.27 147.43 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 31' ' ' ASP . . . 94.3 46.9 2.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.593 HD22 ' CE2' ' A' ' 93' ' ' TYR . 48.6 mt -111.65 162.77 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -91.99 128.38 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.2 p -58.88 151.83 20.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.4 64.44 1.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -153.47 143.95 22.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -72.46 140.03 48.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.593 ' CE2' HD22 ' A' ' 87' ' ' LEU . 16.9 m-85 -142.4 123.13 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 55' ' ' PHE . 28.2 mt -92.95 138.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.759 ' CD1' HD12 ' A' ' 113' ' ' LEU . 87.0 m-85 -125.73 131.19 52.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 110' ' ' PRO . 49.0 mt -134.91 105.7 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.431 HG21 ' CE3' ' A' ' 37' ' ' TRP . 51.9 t -84.56 127.76 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -115.55 110.35 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.757 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.88 125.56 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.0 mt -113.74 138.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -143.62 -176.75 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.21 -31.79 65.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -69.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.9 -142.18 3.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -134.18 151.03 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 16.7 tpt180 -133.92 106.73 7.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -80.89 123.89 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -79.45 178.58 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -74.66 150.55 86.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.8 Cg_endo -69.83 114.63 3.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 m -100.59 103.7 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -76.92 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.759 HD12 ' CD1' ' A' ' 95' ' ' PHE . 40.7 mt -132.06 169.08 16.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 3.0 mtpm? -135.32 137.28 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.692 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 20.1 p -85.52 179.56 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.547 0.689 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.72 16.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -52.78 133.29 47.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.83 12.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.69 30.13 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.744 2.296 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.681 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.4 m -123.2 105.48 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.63 109.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HE ' HG21 ' A' ' 38' ' ' ILE . 10.5 mmt85 -73.67 80.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 13.5 mp0 -53.38 -28.48 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -86.02 -24.87 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.2 m -51.42 144.79 9.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.8 p -130.86 139.15 50.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -115.19 136.58 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' HIS . 12.6 m -131.14 166.44 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.7 p-80 -35.81 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.501 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 54.7 p30 -121.81 38.75 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.67 148.11 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.547 HD12 HD13 ' A' ' 87' ' ' LEU . 85.5 mt -146.8 127.72 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 m -109.14 108.31 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 95' ' ' PHE . 51.2 t -94.68 127.28 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -106.81 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.461 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 24.2 p90 -115.49 142.34 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 20' ' ' SER . 2.9 tp -116.7 135.24 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 t -135.27 148.33 49.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 19.0 p-10 -79.54 -34.7 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 9.5 m-20 -143.04 105.2 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.97 22.4 12.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -82.93 -38.58 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.6 m -76.48 -41.78 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.454 HD13 ' HB1' ' A' ' 99' ' ' ALA . 60.2 mt -47.52 114.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -58.99 -35.41 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.2 p -171.57 163.27 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.71 156.93 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.08 149.12 51.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 12.5 tp -126.32 134.55 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -125.59 114.11 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -124.85 144.89 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 t -161.63 140.77 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.37 125.63 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.3 mtm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.83 148.03 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 77.9 t -134.43 89.99 25.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.2 47.95 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 74' ' ' VAL . 19.5 mt -114.9 114.65 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -126.77 35.3 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -128.07 177.43 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.461 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 7.3 m120 -102.7 13.85 33.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -171.6 123.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 13.6 t80 -121.14 123.18 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.1 m -83.1 113.97 20.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.5 t -88.13 129.65 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.89 150.01 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 52.19 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.721 HD22 ' CE2' ' A' ' 93' ' ' TYR . 15.4 mt -120.75 169.16 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -94.02 155.62 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 90' ' ' GLY . 86.6 p -80.11 155.33 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 89' ' ' SER . . . 35.73 60.88 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.8 m -143.59 147.25 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.18 132.08 39.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.721 ' CE2' HD22 ' A' ' 87' ' ' LEU . 11.2 m-85 -132.81 120.45 21.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.1 mt -91.57 143.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.164 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 35' ' ' VAL . 90.2 m-85 -132.97 135.91 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.661 HG21 ' OD1' ' A' ' 107' ' ' ASN . 60.7 mt -139.02 107.63 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.0 t -82.98 118.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -109.18 110.16 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -74.23 124.71 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.32 130.44 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.532 HD21 ' HB3' ' A' ' 103' ' ' ALA . 26.7 p-10 -144.58 175.89 9.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -53.09 -33.86 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.532 ' HB3' HD21 ' A' ' 101' ' ' ASN . . . -68.28 -53.6 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.13 -135.74 3.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.4 p -145.49 152.24 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -138.68 117.28 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.661 ' OD1' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -85.73 121.34 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -77.82 175.3 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.79 148.14 98.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.1 m -109.22 100.24 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -75.19 138.17 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.555 HD12 ' CD1' ' A' ' 95' ' ' PHE . 35.0 mt -136.02 171.62 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 14.9 mtpp -140.73 135.21 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.738 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 26.5 p -86.22 179.9 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.3 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.539 0.685 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -54.96 138.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.14 15.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.5 Cg_endo -69.77 146.44 60.16 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.665 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.5 m -110.18 108.59 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.32 123.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -91.47 97.47 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.06 -21.17 66.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -80.75 -24.81 38.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.03 -30.11 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 143.66 56.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 33' ' ' ILE . 31.0 p -120.31 157.71 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.63 132.04 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -129.82 167.15 18.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.9 p-80 -39.3 -68.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' THR . 69.7 m-20 -122.65 41.52 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -162.14 144.04 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.154 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.494 HD11 ' CG2' ' A' ' 115' ' ' THR . 12.1 mt -144.13 133.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -111.15 102.21 10.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 95' ' ' PHE . 57.7 t -87.71 111.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -92.97 119.45 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 35' ' ' VAL . 37.0 p90 -119.06 145.75 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.759 HD13 ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -99.84 147.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' HD13 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -129.56 116.76 19.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -71.24 -42.08 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -142.57 106.37 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ILE . 12.0 pt-20 -100.62 -26.83 13.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -39.04 -32.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -88.86 -38.35 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' GLU . 53.0 mt -62.14 125.51 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 t -81.46 -32.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.4 p -172.78 160.54 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -108.55 152.94 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.29 126.9 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 16.2 tp -97.2 123.76 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -123.74 115.54 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 72' ' ' MET . 7.7 p90 -133.68 161.16 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -163.88 144.47 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 40.2 mt -67.23 121.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mpp? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.728 0.299 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 73' ' ' ILE . 5.2 mp -125.5 141.86 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 97.1 t -134.62 92.82 19.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.83 -177.41 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 63.22 50.14 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.918 HG23 ' NE2' ' A' ' 79' ' ' GLN . 23.8 mt -112.67 107.68 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -118.69 40.99 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.918 ' NE2' HG23 ' A' ' 77' ' ' ILE . 11.0 pm0 -139.46 177.31 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.418 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 4.2 m120 -102.94 15.9 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -172.57 123.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.1 t80 -119.43 126.09 50.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.1 m -85.38 106.33 16.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.47 127.86 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -109.5 144.16 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.24 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.1 mt -109.27 177.47 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.39 145.25 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 p -74.71 147.59 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.75 63.61 2.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.8 m -153.0 144.16 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -72.04 145.98 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.539 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 21.7 m-85 -146.69 116.01 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -90.43 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.957 ' CD1' HD12 ' A' ' 113' ' ' LEU . 94.4 m-85 -121.88 139.82 53.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 110' ' ' PRO . 22.3 mt -141.7 106.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.428 HG12 ' HG3' ' A' ' 19' ' ' PRO . 72.2 t -82.81 142.08 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -127.0 118.47 24.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -87.25 109.28 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.2 mt -105.39 139.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 45.3 p30 -144.85 -178.09 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -54.25 -36.37 63.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.35 -73.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -155.71 -135.26 1.97 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 p -144.97 154.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -141.75 108.24 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.78 135.87 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -88.26 176.18 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.98 151.24 96.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.6 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.78 122.7 9.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.322 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 m -103.21 111.02 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.634 ' O ' HD23 ' A' ' 113' ' ' LEU . 9.5 mmm-85 -73.95 141.88 45.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.957 HD12 ' CD1' ' A' ' 95' ' ' PHE . 55.3 mt -147.75 158.98 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -135.98 142.58 44.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.586 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 42.8 p -89.74 176.65 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.545 0.688 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 124.67 11.33 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -49.9 138.88 17.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 131.1 20.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.73 163.18 39.22 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.287 . . . . 0.0 112.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -118.96 103.88 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.47 107.68 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HG3' HD12 ' A' ' 25' ' ' LEU . 10.6 mmm180 -74.46 124.27 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -88.07 -20.25 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.07 -27.88 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' HG3' ' A' ' 22' ' ' ARG . 66.8 mt -89.83 -29.52 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.3 p -63.73 138.19 58.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' ILE . 60.8 p -118.03 149.05 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -118.6 132.75 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -124.66 167.36 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.6 p-80 -38.35 -71.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.515 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 30.8 p30 -116.71 12.71 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.457 ' O ' ' CG1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -129.29 161.47 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.653 HD11 HG23 ' A' ' 115' ' ' THR . 25.1 mt -159.4 134.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -114.2 107.7 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 95' ' ' PHE . 87.5 t -93.47 130.51 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -109.4 123.34 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.444 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 28.6 p90 -118.33 142.96 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -123.18 133.24 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 t -139.29 159.33 42.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.92 -24.95 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -102.99 31.56 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.31 4.37 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -85.36 -31.89 22.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -90.82 -43.37 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.52 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.1 mt -39.27 132.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -79.49 -45.58 19.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.8 p -156.58 156.69 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.3 151.43 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -124.26 129.42 50.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 82' ' ' TYR . 16.2 tp -107.55 125.89 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.717 ' HG2' HD12 ' A' ' 73' ' ' ILE . 30.2 mt-30 -117.29 126.85 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -137.73 145.82 42.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 t -155.61 152.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.518 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 22.3 mt -79.55 110.18 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.572 ' C ' HD13 ' A' ' 73' ' ' ILE . 12.0 mtm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.717 HD12 ' HG2' ' A' ' 51' ' ' GLN . 5.3 mm -114.22 158.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.782 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 94.3 t -134.9 90.42 22.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 175.81 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 63.7 53.08 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 74' ' ' VAL . 30.9 mt -112.68 106.84 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -114.77 42.97 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -140.44 171.52 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.444 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.4 m120 -98.36 6.54 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -161.53 122.74 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.782 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.0 t80 -120.45 118.76 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -81.62 114.09 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.9 131.57 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.03 151.99 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.06 42.45 4.98 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.602 HD22 ' CE1' ' A' ' 93' ' ' TYR . 66.4 mt -108.1 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -107.06 146.02 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.4 p -74.09 157.61 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.29 40.89 2.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.5 m -130.62 141.71 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -71.89 148.73 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.602 ' CE1' HD22 ' A' ' 87' ' ' LEU . 20.8 m-85 -151.52 116.85 5.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 47.0 mt -89.86 140.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 113' ' ' LEU . 54.3 m-85 -124.96 134.25 52.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 110' ' ' PRO . 57.3 mt -138.28 107.9 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' A' ' 19' ' ' PRO . 53.6 t -83.15 126.43 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.56 ' O ' HD12 ' A' ' 100' ' ' ILE . 25.7 ttpt -115.42 108.85 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.73 127.91 33.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.3 mp -118.36 133.15 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -138.63 -174.96 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.57 -35.43 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.84 -59.54 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.05 -137.79 2.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 t -144.43 154.85 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.47 113.07 8.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.4 126.1 30.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p -81.72 177.2 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.99 149.14 87.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.2 Cg_endo -69.84 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.7 m -96.24 110.1 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.53 ' O ' HD23 ' A' ' 113' ' ' LEU . 17.8 mmm-85 -72.86 129.91 39.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' A' ' 95' ' ' PHE . 71.9 mt -142.36 142.62 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -121.8 148.58 44.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.653 HG23 HD11 ' A' ' 33' ' ' ILE . 18.7 p -91.21 170.22 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.05 49.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -60.43 141.94 91.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.64 9.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 148.27 64.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.2 m -106.29 117.7 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -79.64 117.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.588 ' HG3' HD12 ' A' ' 25' ' ' LEU . 40.6 mmm-85 -86.19 123.22 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -88.02 -20.59 25.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -81.74 -20.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD12 ' HG3' ' A' ' 22' ' ' ARG . 16.0 mt -99.25 -24.91 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 p -75.03 134.8 41.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 p -105.73 158.96 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.18 133.81 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.2 t -132.64 158.07 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.479 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.1 p-80 -33.21 -69.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 40.4 p30 -119.3 44.2 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 ' CG2' HG22 ' A' ' 83' ' ' THR . 0.7 OUTLIER -161.5 154.97 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.59 HD11 HG23 ' A' ' 115' ' ' THR . 30.6 mt -156.66 129.76 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -109.51 105.41 14.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 95' ' ' PHE . 61.1 t -91.38 131.22 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -110.9 121.25 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.499 ' CE3' HG21 ' A' ' 97' ' ' VAL . 19.6 p90 -109.38 141.53 41.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 20' ' ' SER . 3.7 tp -118.98 137.15 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -136.19 157.22 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.56 -29.26 24.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.58 105.12 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -119.68 21.81 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -90.1 -39.35 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -74.92 -43.62 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 100' ' ' ILE . 62.6 mt -45.06 127.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -78.78 -41.11 31.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.1 p -162.19 154.73 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.9 m-85 -102.24 156.89 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.16 126.22 40.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.2 148.62 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.34 114.44 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.483 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 13.1 p90 -129.72 150.0 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.4 t -156.28 156.04 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.87 124.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CD1' HD11 ' A' ' 94' ' ' ILE . 74.9 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.31 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.27 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.69 HG11 ' CE2' ' A' ' 82' ' ' TYR . 82.5 t -131.42 94.68 25.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.73 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.544 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 2.5 p-10 48.34 49.43 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.898 HG23 ' NE2' ' A' ' 79' ' ' GLN . 22.7 mt -104.93 107.64 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.3 42.13 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.898 ' NE2' HG23 ' A' ' 77' ' ' ILE . 14.7 pm0 -140.16 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.482 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -104.83 14.14 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -172.54 122.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.69 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.5 t80 -112.53 120.23 40.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.404 HG22 ' CG2' ' A' ' 32' ' ' THR . 7.2 m -84.01 110.94 18.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.405 HG21 ' HE2' ' A' ' 95' ' ' PHE . 45.9 t -85.54 104.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -96.21 133.01 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.93 34.35 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' CD1' HG13 ' A' ' 33' ' ' ILE . 38.9 mt -94.65 -175.33 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -112.51 139.97 47.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 p -63.49 148.62 48.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.7 60.05 2.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -144.45 137.07 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -71.92 143.45 49.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.412 ' CE1' HD22 ' A' ' 87' ' ' LEU . 21.3 m-85 -144.64 118.23 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.668 HD11 ' CD1' ' A' ' 55' ' ' PHE . 91.2 mt -94.44 127.29 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 113' ' ' LEU . 92.7 m-85 -111.5 146.35 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.596 HD11 ' HB3' ' A' ' 110' ' ' PRO . 64.6 mt -147.1 107.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.499 HG21 ' CE3' ' A' ' 37' ' ' TRP . 66.2 t -89.42 132.96 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -128.78 111.66 13.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -72.89 146.21 46.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.9 mt -132.88 143.59 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -150.43 -178.42 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.36 -27.17 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.74 -71.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.21 -139.81 2.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 p -150.88 149.72 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.96 115.73 16.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -84.03 131.83 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -84.48 176.33 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.49 151.06 87.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.596 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.3 Cg_endo -69.74 129.35 17.47 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.0 m -113.7 106.32 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.485 ' CG ' HG12 ' A' ' 94' ' ' ILE . 12.4 mtt85 -73.85 123.13 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 95' ' ' PHE . 54.9 mt -131.95 144.7 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.9 149.91 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.59 HG23 HD11 ' A' ' 33' ' ' ILE . 19.0 p -93.41 160.95 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.629 0.728 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.75 129.75 18.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.66 134.2 10.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 53.5 Cg_endo -69.73 123.33 10.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 18' ' ' PRO . 54.1 Cg_endo -69.78 146.17 59.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.655 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.1 m -107.23 107.34 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.69 114.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -84.28 105.19 14.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.69 -37.16 76.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 10.0 pt-20 -58.19 -37.51 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 16.7 mt -84.28 -27.35 27.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.7 m -54.34 160.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -146.34 137.3 24.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -113.63 137.87 50.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -129.49 167.08 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 13.8 p-80 -42.2 -64.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 1.4 m-20 -124.71 35.66 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 83' ' ' THR . 2.9 m -156.34 154.74 31.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.652 HD11 ' CG2' ' A' ' 115' ' ' THR . 73.4 mt -154.68 131.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 83' ' ' THR . 99.0 m -113.93 113.42 24.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 95' ' ' PHE . 58.2 t -98.33 130.29 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' A' ' 34' ' ' THR . 7.8 m170 -108.18 125.04 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.479 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 23.4 p90 -115.72 139.17 50.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 20' ' ' SER . 3.3 tp -107.6 139.42 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 38' ' ' ILE . 15.2 p -138.44 149.01 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.45 -31.81 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' OD2' ' CE2' ' A' ' 43' ' ' PHE . 1.1 m-20 -156.38 110.05 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.6 22.14 16.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CE2' ' OD2' ' A' ' 41' ' ' ASP . 1.8 m-85 -81.66 -41.96 20.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 m -74.61 -36.93 62.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.05 122.38 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -65.49 -43.15 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -169.09 161.06 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.41 154.66 19.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' CG2' ' A' ' 73' ' ' ILE . 10.7 tt0 -124.74 131.61 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 82' ' ' TYR . 14.7 tp -107.66 120.34 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.994 ' HG2' HD12 ' A' ' 73' ' ' ILE . 54.8 mt-30 -115.51 119.61 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -131.2 147.64 52.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.3 t -155.12 146.32 22.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.1 mt -75.14 122.04 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.482 ' CD2' HD11 ' A' ' 94' ' ' ILE . 25.4 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.509 ' C ' HD13 ' A' ' 73' ' ' ILE . 11.3 mtm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.994 HD12 ' HG2' ' A' ' 51' ' ' GLN . 8.2 mm -113.34 161.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.764 HG11 ' CE2' ' A' ' 82' ' ' TYR . 97.9 t -135.0 88.72 26.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.12 7.18 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 62.96 54.75 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.542 HD11 ' O ' ' A' ' 74' ' ' VAL . 47.6 mt -112.53 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -118.82 41.61 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -138.8 173.13 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.479 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.0 m120 -99.71 12.77 35.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -171.86 121.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.764 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.2 t80 -112.43 123.92 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.427 HG22 ' CG2' ' A' ' 32' ' ' THR . 10.6 m -89.45 107.74 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -83.52 111.62 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.71 149.67 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.79 39.89 4.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 93' ' ' TYR . 45.3 mt -103.7 -179.99 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -99.77 148.88 23.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 p -81.21 141.82 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.79 57.2 16.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -147.72 141.98 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.432 ' HG2' ' CG ' ' A' ' 114' ' ' LYS . 32.5 mtt180 -71.92 140.79 49.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.615 ' CE2' HD22 ' A' ' 87' ' ' LEU . 17.1 m-85 -140.83 119.19 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 55' ' ' PHE . 66.8 mt -89.92 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' CD1' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -129.11 134.62 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.564 HD11 ' HB3' ' A' ' 110' ' ' PRO . 46.1 mt -136.28 109.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.427 HG21 ' CE3' ' A' ' 37' ' ' TRP . 57.8 t -82.98 135.46 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HD3' ' CG1' ' A' ' 100' ' ' ILE . 13.9 ttmt -123.48 129.46 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -99.56 111.22 23.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 12.7 mt -106.29 130.54 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -136.51 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.49 -38.1 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.82 -72.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.28 -139.7 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 p -140.78 153.89 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -138.28 105.08 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -79.68 130.84 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.5 p -83.52 175.03 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.81 150.81 93.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.564 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.7 Cg_endo -69.77 119.77 6.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.7 m -99.92 105.75 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -72.99 127.05 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.61 HD12 ' CD1' ' A' ' 95' ' ' PHE . 89.3 mt -132.33 158.7 41.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 92' ' ' ARG . 28.7 mtpt -132.25 138.99 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.816 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.3 p -85.41 173.84 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.583 0.706 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.751 2.301 . . . . 0.0 112.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -41.07 135.83 1.68 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.22 20.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.94 20.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.67 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.7 m -122.27 100.45 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.17 101.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.628 ' HG3' HD12 ' A' ' 25' ' ' LEU . 34.6 mmm-85 -71.36 125.31 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -88.07 -25.89 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.19 -20.52 48.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 ' HG3' ' A' ' 22' ' ' ARG . 44.2 mt -96.77 -26.11 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -74.97 139.18 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 p -114.81 162.63 16.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.62 135.23 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.2 m -129.25 166.01 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -124.93 39.48 3.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.61 HG21 ' CE1' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -160.93 153.45 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.603 HD11 ' CG2' ' A' ' 115' ' ' THR . 65.9 mt -153.63 135.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 m -111.75 108.8 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.545 HG21 ' CG ' ' A' ' 95' ' ' PHE . 66.9 t -93.15 125.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -107.82 127.33 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 97' ' ' VAL . 26.4 p90 -122.84 148.9 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.67 HG23 ' HB2' ' A' ' 20' ' ' SER . 3.8 tt -128.34 147.97 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -139.16 154.57 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.69 -36.79 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.91 99.66 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.9 -25.33 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -45.76 -38.26 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -71.21 -40.85 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 100' ' ' ILE . 41.0 mt -65.23 116.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -79.1 -24.84 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.404 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 23.9 p -166.75 155.08 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.29 153.15 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 73' ' ' ILE . 13.2 tt0 -127.25 130.38 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 14.7 tp -98.17 150.19 21.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -148.22 114.35 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 19.4 p90 -132.19 153.77 50.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -158.61 140.37 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.542 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 58.7 mt -70.19 116.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CD2' HD11 ' A' ' 94' ' ' ILE . 32.3 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 11.1 mtm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.72 0.295 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.44 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -115.26 143.08 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.607 ' O ' HD11 ' A' ' 77' ' ' ILE . 75.5 t -134.95 96.25 14.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 0.0 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.0 Cg_endo -69.77 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.52 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 2.6 p-10 48.5 51.85 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.607 HD11 ' O ' ' A' ' 74' ' ' VAL . 18.4 mt -113.65 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 47' ' ' SER . 0.0 OUTLIER -107.06 41.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.31 171.4 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -99.33 11.23 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -166.78 126.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.4 t80 -119.76 115.66 24.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -81.64 113.72 19.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.26 117.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.61 ' CE1' HG21 ' A' ' 32' ' ' THR . 4.6 m80 -103.91 135.61 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.82 35.38 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.794 HD22 ' CE1' ' A' ' 93' ' ' TYR . 53.5 mt -99.15 -176.74 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -112.79 147.25 37.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 p -68.02 150.4 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 37.95 63.58 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.0 m -145.98 143.23 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -71.74 141.19 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.794 ' CE1' HD22 ' A' ' 87' ' ' LEU . 15.8 m-85 -145.27 114.1 6.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 55' ' ' PHE . 39.1 mt -89.81 141.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CG ' HG21 ' A' ' 35' ' ' VAL . 89.6 m-85 -130.71 142.87 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.604 HG21 ' ND2' ' A' ' 107' ' ' ASN . 90.7 mt -149.08 110.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.546 HG21 ' CE3' ' A' ' 37' ' ' TRP . 90.5 t -82.05 137.4 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -120.06 108.54 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -76.95 120.71 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 45' ' ' ILE . 24.4 mt -110.77 141.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -150.95 -177.95 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.21 -31.14 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.74 -72.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.94 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.3 p -137.71 163.32 31.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -146.54 119.1 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.604 ' ND2' HG21 ' A' ' 96' ' ' ILE . 11.9 t30 -88.13 123.89 33.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' ILE . 3.2 t -76.61 171.99 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 150.81 97.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 95.2 m -95.86 104.06 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 129.12 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 95' ' ' PHE . 67.0 mt -136.39 146.13 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -121.98 135.61 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.648 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 69.1 p -79.49 170.79 16.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.544 0.688 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.09 10.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.14 138.18 14.01 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.626 0.727 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 123.84 10.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 162.19 43.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.528 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.7 m -121.16 108.95 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.514 HG23 HG13 ' A' ' 35' ' ' VAL . 93.0 mt -71.52 104.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -70.33 96.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -62.43 -31.64 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.36 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 mt -84.41 -26.89 27.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.6 m -53.98 163.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.6 p -147.43 140.32 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.765 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -115.48 134.47 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 20.7 m -127.76 166.88 17.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.2 p-80 -37.44 -71.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 m-20 -119.23 23.38 11.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.43 156.8 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.742 HD11 HG23 ' A' ' 115' ' ' THR . 59.8 mt -156.57 132.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 m -114.82 118.68 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG13 HG23 ' A' ' 21' ' ' ILE . 96.7 t -104.8 129.21 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -108.42 119.94 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -109.79 132.37 54.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 20' ' ' SER . 2.4 tp -103.17 128.98 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -138.72 146.53 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -111.53 83.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -114.98 21.88 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -92.54 -33.07 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -82.05 -44.09 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.458 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.6 mt -43.6 121.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -64.13 -40.18 95.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -169.16 158.19 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.96 148.59 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -124.54 133.01 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 tp -107.55 135.38 49.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.16 121.12 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 22.0 p90 -133.7 146.83 51.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -155.67 153.55 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.2 mt -78.5 119.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 94' ' ' ILE . 32.0 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.6 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.78 142.63 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.561 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 89.8 t -134.63 91.54 21.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -177.05 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 62.1 50.06 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 74' ' ' VAL . 28.6 mt -109.28 101.41 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -111.43 43.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.68 169.98 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.04 14.79 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -170.24 123.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 4.5 t80 -121.67 120.48 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.6 m -83.45 110.98 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.2 t -81.9 125.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -112.17 143.28 43.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.78 42.57 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 93' ' ' TYR . 19.3 mt -107.5 179.97 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -104.66 139.28 39.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 p -68.78 142.97 54.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.24 62.4 4.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.6 m -150.37 145.63 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -72.11 142.0 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 87' ' ' LEU . 18.8 m-85 -143.01 124.15 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' A' ' 55' ' ' PHE . 75.7 mt -99.15 133.78 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.489 ' CD1' HD12 ' A' ' 113' ' ' LEU . 96.2 m-85 -120.9 142.9 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 110' ' ' PRO . 52.6 mt -145.54 110.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.5 t -84.44 126.62 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 100' ' ' ILE . 22.4 ttpt -118.91 112.9 20.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -83.19 131.23 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.3 mp -120.51 138.92 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.402 HD21 ' HB3' ' A' ' 103' ' ' ALA . 27.4 p-10 -142.4 173.46 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -48.03 -31.6 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.402 ' HB3' HD21 ' A' ' 101' ' ' ASN . . . -75.32 -72.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.61 -134.36 1.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.9 t -154.05 156.57 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -139.94 113.34 8.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -80.25 135.12 36.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -87.28 178.96 6.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.48 150.46 86.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.709 0.766 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 121.5 8.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.3 m -100.21 108.27 20.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -74.23 129.83 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 95' ' ' PHE . 91.7 mt -141.49 140.43 33.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 2.4 mtpm? -118.06 135.73 54.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.765 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 24.0 p -80.87 166.35 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.531 0.682 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 125.35 12.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -52.38 138.35 39.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.87 16.66 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.567 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.9 m -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.51 105.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 6.0 mmp_? -79.84 126.62 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.25 -27.98 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.54 -25.14 59.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.17 -29.98 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.0 p -71.6 145.08 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -123.88 153.06 41.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -119.62 134.34 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' HIS . 15.0 m -128.84 166.6 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 4.3 p-80 -35.98 -72.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.51 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.7 m-20 -116.39 11.77 15.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.428 ' C ' HG13 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -124.81 157.27 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.581 HD11 ' CG2' ' A' ' 115' ' ' THR . 60.6 mt -157.54 130.79 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -110.59 114.5 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' A' ' 95' ' ' PHE . 87.0 t -102.95 124.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -105.43 126.02 51.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.643 ' CE3' HG21 ' A' ' 97' ' ' VAL . 16.3 p90 -117.31 133.39 56.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.8 tp -110.85 128.89 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 142.76 51.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.02 -9.46 30.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -175.16 126.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.32 21.51 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.22 -37.64 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 m -76.43 -44.15 37.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 100' ' ' ILE . 71.4 mt -50.56 122.43 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.64 -36.2 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 p -163.42 165.64 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 4.5 m-85 -111.49 171.03 7.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -127.9 145.59 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 82' ' ' TYR . 15.5 tp -130.42 119.48 22.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.491 ' NE2' HG12 ' A' ' 73' ' ' ILE . 9.5 mt-30 -122.31 135.83 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.615 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 3.4 p90 -150.3 145.06 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -155.7 151.77 27.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.5 mt -69.51 117.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 94' ' ' ILE . 36.1 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.615 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.5 ptp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.624 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -136.94 152.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.67 ' O ' HD11 ' A' ' 77' ' ' ILE . 79.3 t -130.35 92.07 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.78 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 63.81 46.5 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 74' ' ' VAL . 52.2 mt -109.07 126.45 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -134.92 40.76 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -135.49 166.45 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -93.48 12.96 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -171.65 124.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.627 ' CD1' HD22 ' A' ' 50' ' ' LEU . 14.2 t80 -116.03 114.53 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.7 m -77.08 113.41 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG21 ' HE2' ' A' ' 95' ' ' PHE . 88.0 t -84.5 131.69 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -121.77 130.22 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.51 50.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.841 HD22 ' CE2' ' A' ' 93' ' ' TYR . 21.7 mt -119.45 -175.49 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -113.22 139.2 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -63.38 147.43 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.33 55.1 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -141.09 141.14 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 43.0 mtt180 -72.02 154.87 40.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.841 ' CE2' HD22 ' A' ' 87' ' ' LEU . 24.6 m-85 -157.05 119.16 3.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 55' ' ' PHE . 67.1 mt -91.47 116.33 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.681 ' CD1' HD12 ' A' ' 113' ' ' LEU . 73.3 m-85 -99.77 138.37 36.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' A' ' 110' ' ' PRO . 51.6 mt -139.05 105.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.643 HG21 ' CE3' ' A' ' 37' ' ' TRP . 77.2 t -88.6 139.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 49' ' ' GLU . 21.2 ttpp -132.29 130.07 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -92.42 131.39 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 45' ' ' ILE . 5.1 mp -120.42 141.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -152.63 179.9 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.95 -34.51 59.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.82 -71.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.62 -142.69 3.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.5 p -144.59 153.64 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -141.25 111.1 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.52 129.14 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -77.78 179.01 6.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.28 151.12 83.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.66 0.743 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.491 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.5 Cg_endo -69.76 113.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -99.32 103.91 15.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -72.91 131.08 41.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 95' ' ' PHE . 78.8 mt -128.56 168.79 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -138.88 131.61 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.691 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 40.2 p -79.76 165.92 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 85.6 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.9 20.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -52.86 137.58 45.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.34 15.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.69 156.79 62.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.519 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.6 m -112.0 99.98 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.419 HD11 ' H ' ' A' ' 97' ' ' VAL . 91.7 mt -64.94 104.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -77.87 127.11 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -88.02 -30.4 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.21 -24.05 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.6 mt -92.85 -30.16 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.97 154.13 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 p -130.77 149.92 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.95 131.39 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 32' ' ' THR . 1.1 t -128.32 166.57 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.489 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.9 p-80 -42.28 -68.04 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' HG23 ' A' ' 32' ' ' THR . 1.0 OUTLIER -122.1 37.88 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -161.2 135.64 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.72 HD11 HG23 ' A' ' 115' ' ' THR . 82.5 mt -137.31 134.3 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -112.35 110.7 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG21 ' CG ' ' A' ' 95' ' ' PHE . 97.2 t -99.17 132.0 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -111.97 124.14 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.489 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 17.7 p90 -112.16 134.47 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.7 tp -110.99 129.23 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.8 t -131.11 153.35 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 41' ' ' ASP . 20.0 p-10 -89.7 -31.49 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 2.3 m-20 -131.51 100.78 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -113.38 -33.7 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.27 -31.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -79.6 -45.94 18.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.63 120.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 -45.22 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.2 p -155.2 158.61 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -107.19 157.69 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -132.02 133.53 44.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.489 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 tp -108.56 141.18 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.711 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.7 mt-30 -130.18 116.13 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.05 145.52 50.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.7 t -157.39 143.39 17.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 33.7 mt -69.31 114.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.438 ' C ' HD13 ' A' ' 73' ' ' ILE . 11.5 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.711 HD12 ' HG2' ' A' ' 51' ' ' GLN . 4.9 mm -110.25 156.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.635 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 96.5 t -135.0 94.43 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.7 -166.18 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.6 p-10 47.72 54.4 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 74' ' ' VAL . 16.7 mt -108.9 108.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -118.21 43.25 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.38 166.96 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -87.89 -6.74 57.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -153.87 133.01 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.635 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 9.3 t80 -122.75 129.89 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 m -92.16 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.5 t -78.0 124.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -105.5 149.89 25.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 43.69 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 93' ' ' TYR . 19.7 mt -106.54 171.06 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -97.76 137.4 36.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.3 p -69.07 149.11 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.32 51.79 9.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -141.91 146.22 35.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.749 0.309 . . . . 0.0 111.149 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' CD ' ' HE ' ' A' ' 112' ' ' ARG . 14.4 mtt85 -72.69 147.86 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.5 m-85 -148.57 119.45 7.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.474 HG12 ' CG ' ' A' ' 112' ' ' ARG . 50.0 mt -89.77 142.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.659 ' CD2' HD12 ' A' ' 113' ' ' LEU . 91.8 m-85 -128.85 134.98 48.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 20.5 mt -141.09 106.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.439 HG12 ' HG3' ' A' ' 19' ' ' PRO . 73.3 t -83.3 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.523 ' HD3' ' ND2' ' A' ' 107' ' ' ASN . 21.1 ttpp -128.45 110.85 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.37 136.08 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.3 mt -124.38 131.6 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -138.95 -175.14 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -59.74 -34.3 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.498 ' N ' ' OE1' ' A' ' 102' ' ' GLN . . . -70.47 -55.84 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.77 -133.55 1.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.5 p -149.12 162.96 38.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.385 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.02 113.24 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.523 ' ND2' ' HD3' ' A' ' 98' ' ' LYS . 19.2 m-80 -81.08 133.79 35.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.4 p -89.32 177.91 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.91 151.23 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.7 m -120.22 101.02 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.474 ' CG ' HG12 ' A' ' 94' ' ' ILE . 2.8 mtp-105 -73.31 128.07 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.659 HD12 ' CD2' ' A' ' 95' ' ' PHE . 88.1 mt -128.02 150.25 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 31.1 mtpt -117.27 132.18 56.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.72 HG23 HD11 ' A' ' 33' ' ' ILE . 19.2 p -82.56 163.5 21.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.546 0.688 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 136.93 34.33 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -57.68 141.64 79.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.88 10.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.22 59.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -103.73 120.82 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.55 120.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' HD12 ' A' ' 25' ' ' LEU . 13.6 mmm180 -88.35 123.67 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.82 -21.89 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.453 HD12 ' HG3' ' A' ' 22' ' ' ARG . 56.3 mt -97.04 -29.28 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.3 p -71.63 147.53 47.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 33' ' ' ILE . 55.9 p -123.04 162.67 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.6 137.03 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.7 m -132.31 165.95 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 3.5 p-80 -35.17 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 19.2 p30 -118.2 34.56 5.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 ' C ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -152.49 154.63 35.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 115' ' ' THR . 70.8 mt -154.96 138.55 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -114.02 109.79 19.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.4 t -95.26 136.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -116.26 119.42 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CE3' HG21 ' A' ' 97' ' ' VAL . 30.7 p90 -112.05 132.11 55.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.98 135.59 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -138.6 139.68 38.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.35 14.99 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.55 120.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.0 pt-20 -132.92 -32.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' GLU . 22.4 m-85 -36.23 -38.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -78.17 -40.29 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' GLU . 48.6 mt -62.2 127.14 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.2 m -81.89 -39.17 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.3 p -163.15 154.28 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -103.35 153.02 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.639 ' CD ' HD13 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -129.29 143.08 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.34 138.99 47.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -135.49 113.96 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.581 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 49.0 p90 -129.33 149.84 50.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.6 t -154.88 141.43 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.3 117.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.793 ' CD2' HD11 ' A' ' 94' ' ' ILE . 33.8 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.407 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.9 mpp? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 72' ' ' MET . 5.3 mp -141.84 143.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HD11 ' A' ' 77' ' ' ILE . 99.4 t -133.84 93.54 20.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.67 -179.21 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.94 49.29 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.521 HD11 ' O ' ' A' ' 74' ' ' VAL . 35.7 mt -109.82 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -112.54 44.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -141.21 170.75 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -97.23 10.22 40.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -167.3 129.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -123.37 131.4 53.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 m -90.78 106.95 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.61 HG21 ' HE1' ' A' ' 95' ' ' PHE . 62.3 t -78.3 121.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -106.49 146.08 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 49.13 3.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 93' ' ' TYR . 37.8 mt -111.28 177.24 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -104.57 135.86 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 m -73.55 142.44 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.64 85.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -146.29 142.17 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.453 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 38.6 mtt-85 -73.44 139.06 45.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.538 ' CE2' HD22 ' A' ' 87' ' ' LEU . 15.2 m-85 -135.59 120.98 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 55' ' ' PHE . 84.0 mt -95.25 128.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' HE1' HG21 ' A' ' 84' ' ' VAL . 96.6 m-85 -116.3 140.92 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mt -138.89 107.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.445 HG21 ' CE3' ' A' ' 37' ' ' TRP . 53.6 t -82.93 134.94 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.588 ' HD2' HD11 ' A' ' 100' ' ' ILE . 8.0 ttmm -123.48 129.04 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -99.34 110.27 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.639 HD13 ' CD ' ' A' ' 49' ' ' GLU . 4.5 mp -100.49 145.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' A' ' 103' ' ' ALA . 29.9 p-10 -154.53 179.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -54.08 -34.2 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 101' ' ' ASN . . . -71.58 -57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.13 -130.39 1.36 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 p -154.98 151.15 28.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -135.06 110.84 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -81.86 134.1 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -88.06 179.08 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.11 149.91 89.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.68 132.98 24.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -120.29 109.87 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -88.05 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.3 mt -134.16 155.0 50.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HG3' ' NH1' ' A' ' 92' ' ' ARG . 30.9 mtpt -114.12 124.8 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.831 HG23 HD11 ' A' ' 33' ' ' ILE . 10.9 p -79.91 161.98 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.598 0.713 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 141.46 45.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -69.93 139.9 88.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 174.91 8.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -126.6 112.29 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.3 mt -77.32 98.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -71.31 125.46 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.82 -30.32 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.94 -24.27 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.55 -29.51 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.79 140.4 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 33' ' ' ILE . 29.1 p -123.84 159.23 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -126.08 146.79 49.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.3 m -138.34 167.31 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.489 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 1.1 p80 -33.75 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -117.53 29.35 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.6 OUTLIER -147.57 154.83 41.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 27' ' ' THR . 70.6 mt -153.3 137.8 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -114.15 109.28 18.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.19 129.22 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -108.08 119.99 41.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.8 p90 -112.49 136.82 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -116.03 138.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -71.29 -28.67 64.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.5 118.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.71 22.28 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.37 -42.34 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -72.2 -42.74 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.465 HD13 ' HB1' ' A' ' 99' ' ' ALA . 61.3 mt -53.31 116.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -67.01 -43.26 83.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.7 p -160.71 155.13 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 8.8 m-85 -101.71 156.43 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.633 ' HG2' HG23 ' A' ' 73' ' ' ILE . 7.2 tt0 -122.51 121.3 36.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -93.43 119.36 32.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -117.81 113.73 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 72' ' ' MET . 4.0 p90 -134.58 158.61 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -162.67 147.6 12.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.489 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 56.3 mt -70.43 120.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 94' ' ' ILE . 27.5 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.549 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 8.6 mtm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.776 0.322 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.633 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -119.01 139.74 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.553 ' O ' HD11 ' A' ' 77' ' ' ILE . 72.3 t -134.95 89.78 23.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 111.186 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.0 m120 62.86 47.26 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.553 HD11 ' O ' ' A' ' 74' ' ' VAL . 41.8 mt -110.17 125.03 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -135.06 41.69 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.494 ' CD ' HG23 ' A' ' 77' ' ' ILE . 20.2 pm0 -134.78 -179.74 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -108.73 14.64 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -172.7 121.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.5 t80 -115.89 117.51 30.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.2 m -79.2 111.02 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.02 123.52 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.75 143.94 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.55 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.3 mt -106.1 179.29 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.15 158.6 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.6 p -90.06 149.49 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.19 45.64 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.5 m -135.91 141.55 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -71.92 136.26 46.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.489 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.7 m-85 -136.05 114.68 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 55' ' ' PHE . 79.5 mt -91.51 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 97.5 m-85 -123.66 143.23 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.649 HD11 ' HB3' ' A' ' 110' ' ' PRO . 57.1 mt -145.62 110.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -82.72 136.31 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 98' ' ' LYS . 1.8 ttmp? -125.55 114.81 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.465 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -82.74 131.29 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -124.19 140.06 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.532 HD21 ' HB3' ' A' ' 103' ' ' ALA . 20.2 p-10 -152.75 -179.6 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -52.8 -33.86 50.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.532 ' HB3' HD21 ' A' ' 101' ' ' ASN . . . -68.81 -71.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.29 -138.54 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.7 p -150.15 141.82 23.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.88 147.49 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -114.36 129.31 56.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.71 167.87 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -68.39 149.7 97.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.649 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.74 126.45 13.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -108.18 110.44 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -74.42 120.89 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 95' ' ' PHE . 91.7 mt -128.55 161.25 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 11.1 mtpt -141.22 148.76 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.781 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 44.2 p -78.68 177.94 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.2 m120 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.603 0.716 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HB3' ' CG ' ' A' ' 101' ' ' ASN . 53.3 Cg_endo -69.81 126.74 13.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.97 132.53 39.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.18 13.03 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.56 30.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.9 m -124.03 110.01 14.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.0 mt -72.07 119.73 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -91.37 108.04 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -71.87 -34.22 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.19 -32.1 73.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.04 -26.0 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.43 162.68 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -146.76 142.09 27.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.79 139.07 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 30' ' ' HIS . 14.4 m -131.7 162.25 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.4 p-80 -34.02 -67.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.504 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 5.6 m-20 -124.72 29.94 6.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.08 149.58 33.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 115' ' ' THR . 76.9 mt -149.67 133.23 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -115.86 118.88 34.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.598 HG21 ' CG ' ' A' ' 95' ' ' PHE . 48.0 t -101.5 133.7 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -111.87 122.78 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.528 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.5 p90 -113.37 135.81 53.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 20' ' ' SER . 3.1 tp -106.16 131.76 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -138.62 143.83 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -86.3 -42.79 13.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -115.45 85.44 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -110.31 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.89 -38.14 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -75.54 -41.47 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.586 HD13 ' HB1' ' A' ' 99' ' ' ALA . 70.2 mt -49.48 112.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -58.79 -43.41 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.2 p -163.92 159.14 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 8.1 m-85 -103.83 154.55 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.31 131.34 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 12.7 tp -101.81 145.53 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.13 115.59 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 37.7 p90 -130.13 146.19 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -152.07 142.54 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.535 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 69.5 mt -66.76 120.59 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 94' ' ' ILE . 2.0 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.59 143.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.684 HG11 ' CE2' ' A' ' 82' ' ' TYR . 96.9 t -133.98 94.27 18.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.449 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 53.8 Cg_endo -69.79 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.7 p-10 47.09 53.13 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 74' ' ' VAL . 14.2 mt -107.83 107.62 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -114.39 43.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -140.0 165.61 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.467 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 9.6 m-20 -93.29 13.07 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -173.08 125.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.684 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.6 t80 -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -88.92 105.86 18.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 65.2 t -81.79 123.36 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -108.6 151.78 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.77 33.81 9.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 HD12 ' A' ' 33' ' ' ILE . 64.2 mt -91.26 -175.58 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -109.24 136.91 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.93 149.1 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.59 63.72 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.5 m -154.26 142.37 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.554 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 15.3 mtt180 -71.75 136.76 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.535 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 15.1 m-85 -137.77 119.85 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.613 HD11 ' HD2' ' A' ' 55' ' ' PHE . 71.2 mt -93.54 132.55 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CG ' HG21 ' A' ' 35' ' ' VAL . 96.5 m-85 -119.46 130.9 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.3 mt -132.03 111.11 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.528 HG21 ' CE3' ' A' ' 37' ' ' TRP . 59.5 t -85.55 127.08 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -118.71 115.17 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.586 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -84.77 134.67 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.2 mt -119.04 125.92 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 27.6 p-10 -137.94 -174.97 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -35.19 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.8 -56.2 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.93 -137.03 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 p -140.86 141.12 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -125.74 127.42 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.63 130.73 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -84.24 178.81 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -71.48 148.16 93.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.73 5.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.7 m -108.18 110.29 21.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.429 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -89.84 133.89 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.583 HD12 ' CD1' ' A' ' 95' ' ' PHE . 14.6 mt -129.96 174.42 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -140.73 139.65 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.786 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 50.2 p -89.26 -179.67 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.5 Cg_endo -69.8 147.58 62.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.28 142.49 81.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 120.9 7.6 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 144.98 55.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.16 117.42 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -82.37 103.73 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -74.47 125.41 28.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -87.75 -18.9 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.92 -23.29 39.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.59 -30.07 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.0 p -64.23 145.48 55.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 33' ' ' ILE . 69.6 p -121.58 151.59 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -122.88 138.0 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.9 t -134.9 163.92 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.9 p-80 -42.82 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.2 m-20 -120.15 35.15 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.586 HG21 ' CE1' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -160.63 147.41 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.778 HD11 HG23 ' A' ' 115' ' ' THR . 78.1 mt -149.66 133.77 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -109.47 118.5 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG21 ' CG ' ' A' ' 95' ' ' PHE . 48.1 t -104.2 129.13 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -109.27 126.29 53.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -116.24 130.94 57.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -104.95 132.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -139.01 143.22 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.46 -37.11 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.09 93.83 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -122.86 21.1 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.17 -26.08 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 m -87.23 -44.14 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.529 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.4 mt -43.24 121.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -66.68 -45.61 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 p -159.89 156.43 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 9.1 m-85 -103.17 151.63 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.709 ' HG3' HG23 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -123.61 129.15 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 82' ' ' TYR . 15.2 tp -104.9 119.86 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -114.79 120.34 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -134.98 146.69 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 t -158.48 148.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.56 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 94' ' ' ILE . 54.4 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.465 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.4 mpp? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.747 0.308 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.709 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.3 mp -146.2 141.77 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.688 ' O ' HD11 ' A' ' 77' ' ' ILE . 78.6 t -131.92 93.56 26.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.73 -170.32 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 60.9 36.69 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.688 HD11 ' O ' ' A' ' 74' ' ' VAL . 20.8 mt -99.42 104.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -117.65 37.16 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -132.79 178.22 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -102.55 12.54 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -172.13 125.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 7.7 t80 -115.71 124.72 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -84.39 107.5 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.672 HG21 ' HE2' ' A' ' 95' ' ' PHE . 58.6 t -80.77 109.61 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.586 ' CE1' HG21 ' A' ' 32' ' ' THR . 17.8 m80 -100.79 140.58 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.51 41.98 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.563 HD13 HD12 ' A' ' 33' ' ' ILE . 42.9 mt -107.03 -175.51 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -112.36 140.23 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.2 p -67.31 146.43 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.74 54.05 9.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -139.73 140.72 36.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 0.0 111.135 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -72.13 145.46 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.506 ' CE1' HD22 ' A' ' 87' ' ' LEU . 23.8 m-85 -149.14 122.24 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 55' ' ' PHE . 59.5 mt -95.65 127.63 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.672 ' HE2' HG21 ' A' ' 84' ' ' VAL . 84.6 m-85 -113.87 140.21 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 110' ' ' PRO . 63.2 mt -142.39 105.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.2 t -83.49 129.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -122.51 122.91 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.529 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -90.71 125.02 35.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 5.1 mp -113.74 141.02 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -148.89 -175.02 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.66 -70.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.63 -135.19 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.9 145.8 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -132.16 120.32 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -91.83 132.01 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 t -81.38 171.66 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.03 151.2 95.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.492 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.76 114.87 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.246 . . . . 0.0 112.369 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -99.53 102.56 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -75.18 126.53 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.416 HD12 ' CD1' ' A' ' 95' ' ' PHE . 83.9 mt -123.01 161.32 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -136.44 129.65 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.778 HG23 HD11 ' A' ' 33' ' ' ILE . 39.4 p -78.99 169.09 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 25.4 p30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 145.54 57.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.06 128.44 87.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 121.29 8.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.03 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.91 108.31 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.499 HD11 ' H ' ' A' ' 97' ' ' VAL . 54.4 mt -74.9 115.6 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HG3' HD12 ' A' ' 25' ' ' LEU . 11.4 mmm180 -79.31 122.89 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 8.3 pm0 -79.0 -20.66 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' HG3' ' A' ' 22' ' ' ARG . 66.9 mt -96.77 -29.68 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 p -68.81 136.94 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p -111.76 161.94 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -128.21 136.33 50.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.475 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.6 t -131.85 164.18 26.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -48.6 -61.19 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 87' ' ' LEU . 26.0 t70 -119.72 28.25 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.423 HG21 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -154.43 152.67 30.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.788 HD11 ' CG2' ' A' ' 115' ' ' THR . 34.4 mt -154.96 127.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -105.95 119.22 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.886 HG21 ' CD2' ' A' ' 95' ' ' PHE . 92.2 t -106.94 120.26 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -100.37 124.32 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -118.95 132.16 56.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 20' ' ' SER . 3.2 tp -100.8 141.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 38' ' ' ILE . 57.1 p -135.67 142.22 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -91.82 -4.53 54.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -173.99 125.76 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.91 3.55 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.78 -31.85 66.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 t -85.61 -33.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.56 HD13 ' HB1' ' A' ' 99' ' ' ALA . 89.7 mt -65.55 113.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -29.29 68.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -173.04 157.01 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.2 m-85 -100.81 155.14 18.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -129.38 131.11 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -102.59 149.4 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -144.6 114.49 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 11.5 p90 -128.98 148.7 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -157.28 142.47 17.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 49.3 mt -67.59 124.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 94' ' ' ILE . 38.2 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 12.7 mtm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.5 mp -117.96 143.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.726 HG11 ' CE2' ' A' ' 82' ' ' TYR . 48.2 t -131.7 94.11 26.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 62.13 50.39 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.779 HG23 ' NE2' ' A' ' 79' ' ' GLN . 3.8 mt -109.96 106.25 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.14 38.39 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.779 ' NE2' HG23 ' A' ' 77' ' ' ILE . 14.9 pm0 -133.97 -178.54 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -107.21 12.87 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -172.53 122.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.726 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.5 t80 -113.4 119.59 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.433 HG22 ' CD2' ' A' ' 85' ' ' HIS . 40.4 m -81.21 110.39 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 109.47 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.433 ' CD2' HG22 ' A' ' 83' ' ' THR . 29.1 m-70 -96.49 149.3 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.49 38.29 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 93' ' ' TYR . 13.9 mt -103.44 174.79 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.49 147.01 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -81.56 143.42 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.8 48.54 61.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.0 m -140.55 144.26 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -72.3 147.08 46.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.541 ' CE2' HD22 ' A' ' 87' ' ' LEU . 16.3 m-85 -146.7 120.59 9.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.525 HD11 ' CD2' ' A' ' 55' ' ' PHE . 91.3 mt -91.8 133.36 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.886 ' CD2' HG21 ' A' ' 35' ' ' VAL . 41.5 m-85 -120.81 132.17 54.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 110' ' ' PRO . 62.9 mt -137.39 105.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.499 ' H ' HD11 ' A' ' 21' ' ' ILE . 62.8 t -83.19 137.81 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -126.81 123.19 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -93.3 126.87 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -113.08 130.69 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -136.91 -177.95 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.28 -33.66 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.94 -72.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.2 -143.09 3.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -134.84 145.62 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -131.65 108.79 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -83.79 127.99 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -78.09 177.37 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.74 151.27 84.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.605 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.77 119.53 6.46 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.0 m -101.73 110.44 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -73.45 136.2 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.678 HD12 ' CD1' ' A' ' 95' ' ' PHE . 95.9 mt -140.11 154.2 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -130.55 135.12 47.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.788 ' CG2' HD11 ' A' ' 33' ' ' ILE . 22.2 p -84.07 172.94 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 26.4 p30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 142.01 46.56 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -62.66 138.08 96.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.26 13.07 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.22 61.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.8 m -110.79 104.22 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.42 HG23 ' CG1' ' A' ' 35' ' ' VAL . 22.2 mt -70.05 105.51 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.546 ' HG3' HD12 ' A' ' 25' ' ' LEU . 25.8 mmm-85 -74.97 121.99 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -87.45 -14.31 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.62 -26.68 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 22' ' ' ARG . 28.8 mt -90.86 -27.01 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 p -65.08 148.62 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -122.02 149.9 42.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -122.09 132.41 54.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -131.47 165.37 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.5 p-80 -39.87 -68.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 82.0 m-20 -120.45 35.49 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.442 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -154.81 148.38 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.911 HD11 HG23 ' A' ' 115' ' ' THR . 91.3 mt -151.0 137.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.1 m -117.32 118.93 33.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.763 HG21 ' CD2' ' A' ' 95' ' ' PHE . 97.3 t -105.39 127.93 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.72 126.8 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CE3' HG21 ' A' ' 97' ' ' VAL . 18.9 p90 -117.38 132.51 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.3 tp -110.96 136.43 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 p -132.5 156.26 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.35 -35.13 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.33 115.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -103.03 13.14 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.06 -22.67 59.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.61 -39.62 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.561 HD13 ' HB1' ' A' ' 99' ' ' ALA . 62.7 mt -60.24 136.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.35 -39.9 18.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.5 p -158.71 158.42 33.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' OH ' HD12 ' A' ' 45' ' ' ILE . 10.2 m-85 -109.66 163.45 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.13 135.76 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 84' ' ' VAL . 14.9 tp -109.3 124.4 50.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 72' ' ' MET . 25.2 p90 -130.73 145.45 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 t -155.83 145.21 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 28.6 mt -72.73 125.07 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CD2' HD11 ' A' ' 94' ' ' ILE . 30.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mpp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.8 mp -130.92 142.97 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' HD11 ' A' ' 77' ' ' ILE . 76.0 t -132.58 92.58 26.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 62.85 53.6 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.652 HD11 ' O ' ' A' ' 74' ' ' VAL . 25.5 mt -113.66 104.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -113.26 40.17 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.7 172.72 12.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -98.27 10.29 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -171.05 126.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.8 t80 -116.3 125.52 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -86.77 106.57 17.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.402 ' CG2' HD21 ' A' ' 50' ' ' LEU . 57.4 t -80.64 111.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -97.87 147.22 24.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.65 42.8 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 93' ' ' TYR . 17.0 mt -104.95 -178.59 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -106.86 142.06 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.66 136.27 35.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.32 46.25 87.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.9 m -141.77 146.4 35.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -73.61 133.95 43.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.528 ' CE2' HD22 ' A' ' 87' ' ' LEU . 12.2 m-85 -134.71 119.01 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 55' ' ' PHE . 30.5 mt -90.78 138.51 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.763 ' CD2' HG21 ' A' ' 35' ' ' VAL . 71.1 m-85 -123.97 137.78 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 110' ' ' PRO . 39.2 mt -143.96 107.13 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.493 HG21 ' CE3' ' A' ' 37' ' ' TRP . 74.2 t -83.73 140.91 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.538 ' O ' HD12 ' A' ' 100' ' ' ILE . 12.2 ttmt -127.05 118.8 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.561 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -87.71 110.74 20.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.2 mp -103.66 141.16 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -150.25 179.34 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -54.86 -26.6 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.77 -70.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.43 -137.07 2.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 p -147.11 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -131.96 111.1 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.25 126.41 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.2 t -78.82 178.56 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.35 150.84 82.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.486 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 116.45 4.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 96.1 m -97.85 106.51 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -75.9 122.41 24.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 95' ' ' PHE . 87.3 mt -125.7 160.99 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -135.09 131.56 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.911 HG23 HD11 ' A' ' 33' ' ' ILE . 13.0 p -82.32 172.74 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' HH21 ' A' ' 106' ' ' ARG . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.605 0.717 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.0 137.13 26.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.82 16.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.45 24.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -125.53 107.34 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.98 119.96 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -93.07 122.06 35.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.64 -33.72 25.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.86 -25.18 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -94.34 -27.08 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -71.65 144.43 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 33' ' ' ILE . 68.3 p -120.48 158.52 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -124.73 138.41 54.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 5.3 t -133.82 160.8 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 6.5 p-80 -37.91 -68.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 27.0 m-20 -120.03 38.03 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.599 ' CA ' HD12 ' A' ' 87' ' ' LEU . 4.7 m -160.41 155.16 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 115' ' ' THR . 87.1 mt -153.2 137.96 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -115.12 104.74 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.64 128.72 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.5 124.19 50.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.6 p90 -116.55 136.78 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 tp -108.01 132.56 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -128.86 139.34 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.64 -27.8 45.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -142.11 106.7 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.82 22.54 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.63 -42.12 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -75.33 -41.73 56.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -49.37 112.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -65.37 -36.33 83.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.7 p -167.13 156.89 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -101.12 155.51 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG3' HG23 ' A' ' 73' ' ' ILE . 3.2 tp10 -129.71 134.77 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -106.95 135.82 47.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -131.32 116.49 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 27.9 p90 -140.09 146.38 38.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -154.59 139.12 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.54 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 51.8 mt -59.3 107.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 15.0 ttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.706 0.289 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.444 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.4 mp -144.15 138.76 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.555 ' O ' HD11 ' A' ' 77' ' ' ILE . 76.1 t -128.72 96.32 30.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.76 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 63.7 54.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 74' ' ' VAL . 59.0 mt -113.7 110.62 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -122.3 42.97 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 82' ' ' TYR . 13.1 pt20 -141.45 163.81 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.81 13.44 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -171.59 122.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.2 t80 -115.5 126.54 54.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.406 HG11 ' CE2' ' A' ' 52' ' ' TYR . 57.4 t -91.13 111.95 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -95.31 149.57 21.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.91 5.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.599 HD12 ' CA ' ' A' ' 32' ' ' THR . 45.6 mt -100.55 -174.88 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -110.1 136.06 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -73.21 134.46 44.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.23 60.35 8.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -151.64 144.6 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 111.157 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -71.86 146.69 47.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.54 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 8.8 m-85 -147.17 116.67 7.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.2 mt -91.58 118.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' A' ' 113' ' ' LEU . 75.0 m-85 -107.83 139.96 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 110' ' ' PRO . 21.3 mt -144.11 105.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.52 136.49 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' HE3' HD11 ' A' ' 100' ' ' ILE . 28.9 ttpt -132.05 113.48 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.49 144.95 41.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.414 HD11 ' HE3' ' A' ' 98' ' ' LYS . 17.8 mt -131.8 135.18 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -146.01 167.48 23.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -42.08 -38.88 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.65 -71.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.01 -135.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 m -155.43 152.09 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.569 HH21 ' HB3' ' A' ' 15' ' ' ALA . 5.5 tpp180 -135.15 125.89 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -95.08 134.83 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -85.71 177.11 7.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.01 151.45 86.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.1 Cg_endo -69.75 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.8 m -105.49 107.41 18.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -73.91 120.13 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' A' ' 95' ' ' PHE . 31.0 mt -127.98 160.99 30.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -135.6 150.06 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.725 HG23 HD11 ' A' ' 33' ' ' ILE . 24.1 p -95.59 167.59 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.523 0.677 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.76 147.47 62.91 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.33 137.48 93.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 124.97 11.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.585 ' HG3' HG12 ' A' ' 97' ' ' VAL . 54.2 Cg_endo -69.78 150.78 68.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.381 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.9 m -105.74 104.87 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.49 HD11 ' H ' ' A' ' 97' ' ' VAL . 64.4 mt -71.68 106.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -76.96 104.33 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' CG ' HG23 ' A' ' 111' ' ' THR . 59.5 mt-10 -69.66 -35.25 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.28 -35.86 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 mt -84.82 -23.61 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 m -57.92 159.55 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.8 p -142.94 140.65 31.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.827 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.16 138.63 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -129.63 164.35 24.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CD2' ' CG ' ' A' ' 31' ' ' ASP . 24.4 p-80 -44.65 -58.31 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' CD2' ' A' ' 30' ' ' HIS . 31.9 p30 -127.15 35.12 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.422 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -157.91 153.78 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.864 HD11 HG23 ' A' ' 115' ' ' THR . 66.1 mt -152.98 129.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -113.18 118.78 35.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 ' CG ' ' A' ' 95' ' ' PHE . 53.1 t -101.39 136.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -113.93 123.47 49.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 27.3 p90 -118.99 133.74 55.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.2 tp -109.39 135.26 48.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -138.67 143.39 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -84.97 -41.2 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.98 94.09 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 21.06 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.88 -30.38 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -81.68 -41.02 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.548 HD13 ' HB1' ' A' ' 99' ' ' ALA . 74.6 mt -46.84 113.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 t -63.56 -31.72 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.3 p -172.31 158.67 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.27 163.78 12.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.641 ' CD ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -140.34 125.8 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 13.5 tp -101.62 118.21 36.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.448 ' CG ' ' OE1' ' A' ' 49' ' ' GLU . 69.2 mt-30 -111.91 114.0 26.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.499 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 10.2 p90 -128.86 158.1 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -162.49 146.99 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.532 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 37.1 mt -72.02 120.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CZ ' ' NH2' ' A' ' 112' ' ' ARG . 49.6 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.45 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.5 mpp? . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.641 HG23 ' CD ' ' A' ' 49' ' ' GLU . 5.3 mp -141.52 138.31 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.466 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 86.0 t -134.35 92.33 20.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.647 2.232 . . . . 0.0 112.394 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 63.39 46.53 4.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 74' ' ' VAL . 15.3 mt -109.44 100.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -110.26 37.38 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -133.38 174.85 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.436 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.7 m120 -96.47 -2.5 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -158.72 122.29 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 23.1 t80 -115.05 124.8 52.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -87.46 118.43 26.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.8 t -92.16 119.54 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -104.66 145.32 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.48 45.85 2.26 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 ' CE1' ' A' ' 93' ' ' TYR . 13.6 mt -111.19 177.28 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -103.32 140.56 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.59 144.49 37.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.89 43.37 99.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -141.53 144.58 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -71.77 150.01 44.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.609 ' CE1' HD22 ' A' ' 87' ' ' LEU . 13.3 m-85 -149.48 115.9 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 79.2 mt -90.35 143.91 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.794 ' CD2' HD12 ' A' ' 113' ' ' LEU . 97.6 m-85 -131.49 142.16 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.848 HG21 ' OD1' ' A' ' 107' ' ' ASN . 86.0 mt -145.11 108.77 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 19' ' ' PRO . 97.1 t -83.46 121.46 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -117.09 110.71 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.548 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -76.79 135.8 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -119.04 134.49 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 42.3 p30 -140.69 -175.36 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 102' ' ' GLN . 18.8 tp60 -57.76 -35.53 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 101' ' ' ASN . . . -69.58 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.23 -134.01 1.61 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 93.2 p -142.47 149.82 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -129.74 107.18 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.848 ' OD1' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -83.21 131.97 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.5 p -85.34 178.38 7.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.75 150.98 86.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.505 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.1 Cg_endo -69.81 116.74 4.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.53 HG23 ' CG ' ' A' ' 23' ' ' GLU . 52.0 m -96.41 107.71 20.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.411 ' NH2' ' CZ ' ' A' ' 55' ' ' PHE . 10.3 mmt85 -73.51 126.47 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.794 HD12 ' CD2' ' A' ' 95' ' ' PHE . 71.1 mt -135.93 146.97 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 17.1 mtpt -120.69 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.864 HG23 HD11 ' A' ' 33' ' ' ILE . 20.0 p -82.93 158.16 22.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 24.1 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -44.16 125.35 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -77.68 145.24 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 172.15 14.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -119.56 98.46 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -159.87 137.16 9.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 129.52 5.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.43 113.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.622 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -64.65 94.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -24.15 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.655 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.59 137.99 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' O ' HD23 ' A' ' 13' ' ' LEU . 10.3 tt -121.82 -10.42 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.615 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -36.7 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.76 142.96 30.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.93 26.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -54.34 139.45 56.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 127.73 15.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 160.12 50.87 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.493 ' HB2' HG23 ' A' ' 38' ' ' ILE . 3.1 m -113.48 101.04 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.417 HD11 ' H ' ' A' ' 97' ' ' VAL . 93.2 mt -70.8 103.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -76.37 124.79 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.85 -23.18 24.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.92 -25.9 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 mt -91.73 -28.89 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.6 p -65.56 145.53 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 33' ' ' ILE . 81.7 p -121.69 156.56 32.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -126.37 126.29 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' HIS . 2.9 t -122.42 166.46 14.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 2.2 p-80 -34.66 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 11.3 p30 -121.06 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.71 136.55 15.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 115' ' ' THR . 71.7 mt -132.25 135.49 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -111.43 102.66 11.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -89.07 137.35 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -115.54 127.41 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.457 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 26.2 p90 -120.86 123.61 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.7 tp -101.42 136.04 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -135.22 151.18 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -91.61 -38.43 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.74 99.89 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.36 19.76 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.93 -40.56 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 -39.04 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 100' ' ' ILE . 60.3 mt -52.73 114.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -76.36 -26.36 55.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.1 p -171.51 152.4 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.9 156.44 17.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' CG ' HG23 ' A' ' 73' ' ' ILE . 28.7 tt0 -129.81 130.45 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 tp -104.43 129.05 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -126.69 114.36 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -127.51 153.7 46.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.681 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 13.6 t -158.07 147.46 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.526 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 94.8 mt -72.77 129.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 94' ' ' ILE . 39.6 t80 -109.39 122.87 48.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p -123.99 -49.2 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.63 42.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.4 tp-100 -45.73 153.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' GLN . . . -34.58 -47.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -158.15 132.25 8.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -42.25 -38.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 mm -58.9 -55.62 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -42.78 -62.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.77 -65.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.96 -27.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.45 -55.97 27.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.7 m -83.07 51.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 71' ' ' TRP . 2.6 p -48.17 -37.25 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -38.25 -33.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -70.51 -42.62 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.681 ' CZ2' HG21 ' A' ' 53' ' ' THR . 16.1 m95 -40.36 150.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -87.31 146.0 26.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 49' ' ' GLU . 5.3 mp -136.02 139.28 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.722 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 70.4 t -131.87 89.65 38.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 59.71 40.43 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 74' ' ' VAL . 31.1 mt -104.75 107.63 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -116.67 36.28 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 18.9 pm0 -134.7 179.12 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.457 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.6 m120 -105.04 13.55 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -167.85 118.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.722 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.1 t80 -116.0 123.65 48.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -84.09 112.63 20.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.639 HG21 ' HE2' ' A' ' 95' ' ' PHE . 90.0 t -82.47 127.92 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -112.71 146.6 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.16 46.27 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 93' ' ' TYR . 20.5 mt -112.27 -179.68 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 110.95 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -116.22 139.49 50.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 p -61.44 140.82 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.16 61.54 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -146.93 143.28 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -73.61 146.86 44.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.526 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 13.6 m-85 -149.88 116.11 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 55' ' ' PHE . 55.1 mt -92.86 125.25 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.639 ' HE2' HG21 ' A' ' 84' ' ' VAL . 60.5 m-85 -111.34 144.72 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.524 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 36.5 mt -142.93 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.417 ' H ' HD11 ' A' ' 21' ' ' ILE . 71.4 t -86.47 121.92 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -115.03 109.17 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.58 138.21 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 45' ' ' ILE . 22.3 mt -125.9 133.51 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -137.42 -176.57 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -74.1 -72.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.76 -136.29 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.9 p -144.04 152.79 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -130.74 114.32 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.52 120.57 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.9 p -79.03 170.29 16.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.71 151.07 97.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.382 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.2 m -104.44 109.52 21.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.655 ' O ' HD23 ' A' ' 113' ' ' LEU . 31.7 mtm-85 -73.52 134.62 43.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' ARG . 67.3 mt -145.82 141.57 28.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -118.67 151.7 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.587 HG23 HD11 ' A' ' 33' ' ' ILE . 11.6 p -90.78 171.86 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 39.0 m-20 -83.72 155.09 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.7 m -45.74 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -135.05 161.11 65.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.77 -177.02 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -63.34 133.68 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -85.52 133.41 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.6 m -109.27 95.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.03 -95.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.5 p -174.96 114.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.7 p -121.37 153.86 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -75.22 -60.82 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 72.1 m 34.86 41.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.59 -140.13 4.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -108.55 149.42 28.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -53.72 136.52 39.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 66.8 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.87 96.24 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.18 -115.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -103.11 122.71 45.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 11' ' ' ASP . 29.4 t0 -86.94 33.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.442 ' HD2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER -41.52 161.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 103' ' ' ALA . 9.2 tt -97.87 -44.86 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.55 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 5.7 t -30.28 -38.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.84 133.34 14.33 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.607 0.718 . . . . 0.0 111.082 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 132.79 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -51.89 140.86 29.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.83 11.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.71 141.64 45.98 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.85 107.4 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.56 110.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -76.86 103.84 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.47 -36.69 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.29 -35.17 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -85.78 -22.9 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 m -57.95 157.18 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -140.85 141.87 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.893 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.5 t -131.79 161.26 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.513 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 4.4 p-80 -35.59 -70.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 33.8 p30 -118.83 28.73 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -147.03 149.0 32.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.773 HD11 ' CG2' ' A' ' 115' ' ' THR . 63.3 mt -150.93 134.01 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 m -115.42 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.635 HG21 ' CG ' ' A' ' 95' ' ' PHE . 98.4 t -105.17 120.44 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 5.8 m170 -100.78 124.15 46.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -118.46 142.02 47.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 39' ' ' SER . 3.2 tp -113.38 141.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 38' ' ' ILE . 3.3 t -138.8 155.13 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.85 -32.32 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -133.69 99.01 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -111.58 -5.67 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.03 -24.86 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -88.62 -44.34 10.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.766 HD13 ' HB1' ' A' ' 99' ' ' ALA . 42.6 mt -49.21 118.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -62.96 -41.94 99.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -165.84 159.92 16.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.68 155.71 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 73' ' ' ILE . 4.5 tp10 -132.17 125.52 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 tp -92.64 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -145.72 114.06 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 30.3 p90 -137.47 165.43 26.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -168.43 147.29 4.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.554 HG22 HG23 ' A' ' 56' ' ' THR . 56.1 mt -71.25 114.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE2' ' NE2' ' A' ' 58' ' ' GLN . 30.5 t80 -90.92 111.64 23.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.554 HG23 HG22 ' A' ' 54' ' ' ILE . 39.3 p -123.88 171.62 9.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -41.22 115.53 0.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.556 ' NE2' ' CE2' ' A' ' 55' ' ' PHE . 12.3 pt20 -143.75 146.66 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.07 -60.13 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -134.27 146.1 49.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.474 ' HA ' ' NE2' ' A' ' 58' ' ' GLN . 38.5 t80 -63.82 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ASN . 11.4 mm -64.88 -49.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -45.32 -47.63 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.75 -47.0 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.21 -13.72 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' ILE . 27.7 m-20 -68.59 -29.85 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.24 52.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.582 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 2.8 t -47.29 -25.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -52.98 -15.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -85.87 -27.97 24.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 14.7 m95 -53.66 159.82 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -99.03 136.18 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.2 mp -123.84 144.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 82' ' ' TYR . 74.8 t -132.92 93.56 23.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.82 179.81 3.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 63.77 46.98 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.556 HD11 ' O ' ' A' ' 74' ' ' VAL . 29.6 mt -107.58 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -111.41 42.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.99 170.12 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -97.24 15.39 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -172.35 120.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.1 t80 -112.34 114.97 27.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.1 m -78.7 112.55 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.64 112.46 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -100.82 143.26 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.25 40.8 3.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 93' ' ' TYR . 41.2 mt -102.46 171.57 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.66 137.45 32.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 p -71.04 147.83 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.74 56.61 6.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.1 m -146.17 151.0 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -73.76 150.07 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.568 ' CE1' HD22 ' A' ' 87' ' ' LEU . 18.2 m-85 -153.7 119.69 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 95' ' ' PHE . 64.9 mt -94.81 155.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.878 ' CD2' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -141.24 143.4 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 110' ' ' PRO . 54.5 mt -146.92 105.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.475 HG12 ' HG3' ' A' ' 19' ' ' PRO . 66.0 t -84.24 130.4 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' HD12 ' A' ' 100' ' ' ILE . 31.5 ttpt -123.06 114.48 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.89 131.3 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 98' ' ' LYS . 4.6 mp -121.06 145.28 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -151.12 -175.78 5.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.424 ' CD ' ' H ' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -58.75 -33.55 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.861 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -70.97 -57.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 -130.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -154.78 154.14 32.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 7.6 tpm_? -139.22 121.32 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -95.18 136.95 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -91.93 176.56 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.84 151.1 95.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.673 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 128.8 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.2 m -107.56 111.3 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -72.86 134.72 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.878 HD12 ' CD2' ' A' ' 95' ' ' PHE . 91.8 mt -141.88 140.99 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -121.73 140.66 52.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.893 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 47.4 p -86.4 175.24 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 117' ' ' SER . 90.0 m-20 -89.62 142.53 27.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 116' ' ' ASN . 29.6 t -33.96 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -135.12 161.67 62.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.569 0.699 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.513 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.81 -178.84 2.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.9 109.91 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -109.19 114.43 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.2 p -59.89 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.18 167.77 12.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.04 11.69 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 96.1 p -123.45 -50.54 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -116.28 116.21 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -129.38 106.9 9.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -80.43 -46.69 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.77 -127.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 48.85 40.53 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -120.29 85.46 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.43 40.88 0.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -118.19 83.73 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.26 -127.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.671 HD13 ' HE2' ' A' ' 12' ' ' TYR . 11.4 mt -138.26 125.9 22.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.671 ' HE2' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -41.48 138.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 14' ' ' THR . 23.2 tp -121.5 -10.12 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.794 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -31.41 -48.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.19 144.21 46.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 106' ' ' ARG . 54.0 Cg_endo -69.79 123.49 10.14 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -40.42 134.32 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.6 67.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.7 m -113.15 100.0 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.44 110.67 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -78.61 120.29 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.83 -13.95 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -84.95 -25.87 27.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.12 -26.45 15.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.78 129.47 39.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -103.13 167.15 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -134.98 135.27 41.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.7 m -137.84 155.45 48.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.8 p-80 -36.12 -68.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 32' ' ' THR . 17.6 t70 -116.14 39.11 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -161.55 148.49 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 115' ' ' THR . 33.3 mt -156.73 126.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 m -105.31 119.2 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 95' ' ' PHE . 98.4 t -106.38 116.64 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -99.09 123.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.6 p90 -116.21 137.38 52.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 20' ' ' SER . 3.2 tp -114.97 133.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.4 p -134.41 150.74 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -78.32 -29.57 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.93 100.39 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.65 21.23 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -98.26 -32.95 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -78.83 -40.76 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.757 HD13 ' HB1' ' A' ' 99' ' ' ALA . 29.8 mt -49.53 120.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -69.07 -41.42 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 p -161.97 161.55 28.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.502 ' OH ' HD12 ' A' ' 45' ' ' ILE . 10.3 m-85 -109.93 146.66 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -121.73 125.15 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 82' ' ' TYR . 16.4 tp -99.1 144.28 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -143.14 115.75 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -128.83 144.49 51.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.51 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 7.5 t -153.22 145.78 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.0 mt -68.67 134.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 94' ' ' ILE . 42.6 t80 -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -116.74 54.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.33 26.14 43.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.525 ' OE1' HD13 ' A' ' 64' ' ' LEU . 6.5 tt0 -51.55 164.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -49.78 -178.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' ALA . 23.9 m-80 -32.22 122.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 62' ' ' ILE . 56.5 t80 -48.36 -61.12 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.561 HG22 ' ND2' ' A' ' 66' ' ' ASN . 39.9 mm -33.19 -39.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 m -63.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.525 HD13 ' OE1' ' A' ' 58' ' ' GLN . 8.7 tp -51.35 -42.77 61.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.05 -32.62 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.561 ' ND2' HG22 ' A' ' 62' ' ' ILE . 30.7 m-20 -62.67 -29.13 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -108.39 77.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 68' ' ' VAL . 28.1 m -76.33 51.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -90.71 -30.27 17.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' TRP . 10.8 t -95.83 -39.37 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.51 ' CZ2' HG21 ' A' ' 53' ' ' THR . 38.7 m95 -34.7 137.45 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.1 mtm -97.15 134.69 40.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.31 145.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 65.0 t -134.37 92.11 21.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.78 -177.24 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.736 2.29 . . . . 0.0 112.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.86 51.79 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.576 HD11 ' O ' ' A' ' 74' ' ' VAL . 37.6 mt -113.47 106.74 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -115.89 41.57 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -135.74 166.87 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.98 10.83 29.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -169.63 124.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 10.9 t80 -115.76 125.49 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -88.53 108.72 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.46 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -118.27 147.43 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 31' ' ' ASP . . . 94.3 46.9 2.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.593 HD22 ' CE2' ' A' ' 93' ' ' TYR . 48.6 mt -111.65 162.77 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -91.99 128.38 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.2 p -58.88 151.83 20.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.4 64.44 1.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -153.47 143.95 22.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -72.46 140.03 48.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.593 ' CE2' HD22 ' A' ' 87' ' ' LEU . 16.9 m-85 -142.4 123.13 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 55' ' ' PHE . 28.2 mt -92.95 138.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.759 ' CD1' HD12 ' A' ' 113' ' ' LEU . 87.0 m-85 -125.73 131.19 52.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 110' ' ' PRO . 49.0 mt -134.91 105.7 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.431 HG21 ' CE3' ' A' ' 37' ' ' TRP . 51.9 t -84.56 127.76 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -115.55 110.35 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.757 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.88 125.56 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.0 mt -113.74 138.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.427 HD22 HD11 ' A' ' 13' ' ' LEU . 37.4 p-10 -143.62 -176.75 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.21 -31.79 65.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -73.6 -69.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.9 -142.18 3.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -134.18 151.03 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 16.7 tpt180 -133.92 106.73 7.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -80.89 123.89 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -79.45 178.58 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -74.66 150.55 86.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.8 Cg_endo -69.83 114.63 3.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 m -100.59 103.7 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -76.92 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.759 HD12 ' CD1' ' A' ' 95' ' ' PHE . 40.7 mt -132.06 169.08 16.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 3.0 mtpm? -135.32 137.28 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.692 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 20.1 p -85.52 179.56 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' SER . 77.4 m-20 -93.51 142.47 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' ASN . 2.1 t -36.21 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -135.54 162.5 56.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.75 -174.75 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.4 112.84 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -119.99 156.93 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.0 t -94.59 124.24 38.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.33 -159.47 8.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -11.72 31.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 p -89.65 -44.31 10.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 -179.91 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -101.32 -55.87 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -46.64 136.16 8.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.03 -124.77 2.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -90.28 47.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -60.24 -51.78 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.9 148.48 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' GLY . 13.0 tp10 -141.33 126.86 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLU . . . -37.19 139.65 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.6 mt -114.6 -176.64 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -100.08 12.49 36.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -84.93 133.76 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' LEU . 4.1 tp -130.92 24.19 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.545 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -58.65 -55.56 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . -138.48 152.02 70.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.72 16.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -52.78 133.29 47.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.83 12.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.69 30.13 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.744 2.296 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.681 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.4 m -123.2 105.48 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.63 109.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HE ' HG21 ' A' ' 38' ' ' ILE . 10.5 mmt85 -73.67 80.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 13.5 mp0 -53.38 -28.48 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -86.02 -24.87 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.2 m -51.42 144.79 9.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.8 p -130.86 139.15 50.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -115.19 136.58 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' HIS . 12.6 m -131.14 166.44 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.7 p-80 -35.81 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.501 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 54.7 p30 -121.81 38.75 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.67 148.11 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.547 HD12 HD13 ' A' ' 87' ' ' LEU . 85.5 mt -146.8 127.72 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 m -109.14 108.31 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 95' ' ' PHE . 51.2 t -94.68 127.28 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -106.81 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.461 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 24.2 p90 -115.49 142.34 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 20' ' ' SER . 2.9 tp -116.7 135.24 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 t -135.27 148.33 49.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 19.0 p-10 -79.54 -34.7 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 9.5 m-20 -143.04 105.2 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.97 22.4 12.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -82.93 -38.58 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.6 m -76.48 -41.78 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.454 HD13 ' HB1' ' A' ' 99' ' ' ALA . 60.2 mt -47.52 114.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -58.99 -35.41 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.2 p -171.57 163.27 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.71 156.93 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.08 149.12 51.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 12.5 tp -126.32 134.55 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -125.59 114.11 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -124.85 144.89 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.463 HG21 ' CE2' ' A' ' 71' ' ' TRP . 7.8 t -161.63 140.77 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.37 125.63 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -97.66 123.53 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -141.21 -178.16 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.0 39.87 3.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.803 ' OE1' HD13 ' A' ' 64' ' ' LEU . 8.9 pt20 -67.49 -46.16 73.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -172.96 174.24 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -44.86 133.08 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -45.35 -45.55 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.71 -52.23 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.0 m -47.97 -55.39 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.803 HD13 ' OE1' ' A' ' 58' ' ' GLN . 9.2 tp -62.44 -56.53 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -52.62 -26.98 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -64.4 -34.65 78.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.7 m -107.18 89.36 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 68' ' ' VAL . 23.7 m -81.61 42.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.48 -32.47 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' TRP . 47.9 t -88.23 -40.98 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CE2' HG21 ' A' ' 53' ' ' THR . 40.0 m95 -36.32 143.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.3 mtm -105.09 142.42 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.83 148.03 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 77.9 t -134.43 89.99 25.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.2 47.95 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 74' ' ' VAL . 19.5 mt -114.9 114.65 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -126.77 35.3 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -128.07 177.43 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.461 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 7.3 m120 -102.7 13.85 33.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -171.6 123.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 13.6 t80 -121.14 123.18 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.1 m -83.1 113.97 20.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.5 t -88.13 129.65 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.89 150.01 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 52.19 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.721 HD22 ' CE2' ' A' ' 93' ' ' TYR . 15.4 mt -120.75 169.16 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -94.02 155.62 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 90' ' ' GLY . 86.6 p -80.11 155.33 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 89' ' ' SER . . . 35.73 60.88 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.8 m -143.59 147.25 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.18 132.08 39.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.721 ' CE2' HD22 ' A' ' 87' ' ' LEU . 11.2 m-85 -132.81 120.45 21.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.1 mt -91.57 143.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.164 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 35' ' ' VAL . 90.2 m-85 -132.97 135.91 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.661 HG21 ' OD1' ' A' ' 107' ' ' ASN . 60.7 mt -139.02 107.63 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.0 t -82.98 118.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -109.18 110.16 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -74.23 124.71 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.32 130.44 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.532 HD21 ' HB3' ' A' ' 103' ' ' ALA . 26.7 p-10 -144.58 175.89 9.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -53.09 -33.86 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -68.28 -53.6 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.13 -135.74 3.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.4 p -145.49 152.24 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -138.68 117.28 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.661 ' OD1' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -85.73 121.34 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -77.82 175.3 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.79 148.14 98.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.1 m -109.22 100.24 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -75.19 138.17 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.555 HD12 ' CD1' ' A' ' 95' ' ' PHE . 35.0 mt -136.02 171.62 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 14.9 mtpp -140.73 135.21 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.738 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 26.5 p -86.22 179.9 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -112.2 171.65 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -53.19 174.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -77.27 154.71 82.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.43 ' HD3' ' CB ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.74 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.719 2.28 . . . . 0.0 112.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -71.39 122.77 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -68.36 141.91 55.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.2 t -175.03 141.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.18 -117.11 1.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 146.18 59.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 92.7 p -107.51 165.77 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.8 t -47.81 153.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -125.33 177.8 5.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -45.18 169.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 -68.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -136.53 177.59 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -113.88 -58.61 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.14 100.23 1.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -145.7 148.84 33.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.01 178.81 44.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.407 HD12 ' ND2' ' A' ' 17' ' ' ASN . 7.5 mt -92.22 116.17 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -46.98 -38.58 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -70.12 142.43 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.829 ' O ' HD23 ' A' ' 13' ' ' LEU . 8.4 tt -128.53 -6.2 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 t -38.92 -25.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -146.93 141.82 16.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.539 0.685 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' ND2' HD12 ' A' ' 10' ' ' LEU . 4.6 m120 -54.96 138.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.14 15.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.5 Cg_endo -69.77 146.44 60.16 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.665 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.5 m -110.18 108.59 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.32 123.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -91.47 97.47 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.06 -21.17 66.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -80.75 -24.81 38.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.03 -30.11 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 143.66 56.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 33' ' ' ILE . 31.0 p -120.31 157.71 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.63 132.04 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -129.82 167.15 18.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 7.9 p-80 -39.3 -68.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' THR . 69.7 m-20 -122.65 41.52 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -162.14 144.04 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.154 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.494 HD11 ' CG2' ' A' ' 115' ' ' THR . 12.1 mt -144.13 133.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -111.15 102.21 10.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 95' ' ' PHE . 57.7 t -87.71 111.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -92.97 119.45 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 35' ' ' VAL . 37.0 p90 -119.06 145.75 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.759 HD13 ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -99.84 147.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' HD13 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -129.56 116.76 19.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -71.24 -42.08 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -142.57 106.37 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ILE . 12.0 pt-20 -100.62 -26.83 13.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -39.04 -32.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -88.86 -38.35 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' GLU . 53.0 mt -62.14 125.51 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 t -81.46 -32.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.4 p -172.78 160.54 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -108.55 152.94 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.29 126.9 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 16.2 tp -97.2 123.76 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -123.74 115.54 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 72' ' ' MET . 7.7 p90 -133.68 161.16 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.572 HG21 ' CE2' ' A' ' 71' ' ' TRP . 11.6 t -163.88 144.47 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 40.2 mt -67.23 121.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -104.47 104.89 14.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.464 HG23 HG22 ' A' ' 54' ' ' ILE . 70.7 p -105.56 50.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 33.99 85.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' NE2' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -94.3 164.25 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.97 -35.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' CG1' ' A' ' 62' ' ' ILE . 13.2 t-20 -161.08 129.8 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -46.59 -27.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.487 ' CG1' ' OD1' ' A' ' 60' ' ' ASN . 14.8 mm -64.91 -48.75 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 t -50.11 -39.3 42.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.406 HD13 ' NE2' ' A' ' 58' ' ' GLN . 10.5 tp -80.36 -44.78 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.5 t80 -67.18 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.418 ' OD1' HG22 ' A' ' 62' ' ' ILE . 3.7 m120 -59.85 -40.4 88.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.8 m -100.28 56.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' TYR . 3.7 t -57.29 -32.27 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.93 -16.1 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -85.62 -30.98 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.774 ' CZ3' HD12 ' A' ' 96' ' ' ILE . 13.1 m95 -46.52 157.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mpp? -94.65 137.67 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 73' ' ' ILE . 5.2 mp -125.5 141.86 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 97.1 t -134.62 92.82 19.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.83 -177.41 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 63.22 50.14 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.918 HG23 ' NE2' ' A' ' 79' ' ' GLN . 23.8 mt -112.67 107.68 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -118.69 40.99 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.918 ' NE2' HG23 ' A' ' 77' ' ' ILE . 11.0 pm0 -139.46 177.31 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.418 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 4.2 m120 -102.94 15.9 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -172.57 123.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.1 t80 -119.43 126.09 50.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.1 m -85.38 106.33 16.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.47 127.86 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -109.5 144.16 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.24 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.1 mt -109.27 177.47 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.39 145.25 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 p -74.71 147.59 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.75 63.61 2.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.8 m -153.0 144.16 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -72.04 145.98 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.539 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 21.7 m-85 -146.69 116.01 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -90.43 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.957 ' CD1' HD12 ' A' ' 113' ' ' LEU . 94.4 m-85 -121.88 139.82 53.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.774 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 22.3 mt -141.7 106.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.428 HG12 ' HG3' ' A' ' 19' ' ' PRO . 72.2 t -82.81 142.08 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -127.0 118.47 24.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -87.25 109.28 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.2 mt -105.39 139.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 45.3 p30 -144.85 -178.09 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -54.25 -36.37 63.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.557 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -69.35 -73.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -155.71 -135.26 1.97 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 p -144.97 154.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -141.75 108.24 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.78 135.87 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -88.26 176.18 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.98 151.24 96.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.6 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.78 122.7 9.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.322 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 m -103.21 111.02 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.634 ' O ' HD23 ' A' ' 113' ' ' LEU . 9.5 mmm-85 -73.95 141.88 45.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.957 HD12 ' CD1' ' A' ' 95' ' ' PHE . 55.3 mt -147.75 158.98 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -135.98 142.58 44.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.586 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 42.8 p -89.74 176.65 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 117' ' ' SER . 87.9 m-20 -85.22 135.55 33.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ASN . 8.4 m -34.69 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.479 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 7.0 tt0 -135.11 140.68 35.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.531 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.3 Cg_endo -69.74 0.35 5.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.81 157.06 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.68 126.85 53.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -109.54 166.14 11.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -141.13 71.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.81 2.86 3.17 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.682 2.254 . . . . 0.0 112.32 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 124' ' ' PRO . 52.1 m -34.07 129.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 82.9 p -57.88 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -60.92 173.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 140.58 36.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 102.77 2.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -61.32 159.0 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t 43.64 40.94 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.23 123.18 5.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -87.28 142.52 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.78 150.27 18.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.578 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -78.12 110.08 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.29 42.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -95.18 137.79 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 103' ' ' ALA . 18.2 tp -127.21 -6.82 5.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -33.05 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -146.84 143.11 17.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 124.67 11.33 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -49.9 138.88 17.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 131.1 20.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.73 163.18 39.22 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.287 . . . . 0.0 112.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -118.96 103.88 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.47 107.68 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HG3' HD12 ' A' ' 25' ' ' LEU . 10.6 mmm180 -74.46 124.27 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -88.07 -20.25 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.07 -27.88 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' HG3' ' A' ' 22' ' ' ARG . 66.8 mt -89.83 -29.52 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.3 p -63.73 138.19 58.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' ILE . 60.8 p -118.03 149.05 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -118.6 132.75 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -124.66 167.36 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.6 p-80 -38.35 -71.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.515 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 30.8 p30 -116.71 12.71 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.457 ' O ' ' CG1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -129.29 161.47 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.653 HD11 HG23 ' A' ' 115' ' ' THR . 25.1 mt -159.4 134.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -114.2 107.7 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 95' ' ' PHE . 87.5 t -93.47 130.51 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -109.4 123.34 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.444 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 28.6 p90 -118.33 142.96 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -123.18 133.24 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 t -139.29 159.33 42.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.92 -24.95 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -102.99 31.56 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.31 4.37 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -85.36 -31.89 22.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -90.82 -43.37 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.52 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.1 mt -39.27 132.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -79.49 -45.58 19.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.8 p -156.58 156.69 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.3 151.43 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -124.26 129.42 50.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 82' ' ' TYR . 16.2 tp -107.55 125.89 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.717 ' HG2' HD12 ' A' ' 73' ' ' ILE . 30.2 mt-30 -117.29 126.85 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -137.73 145.82 42.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.716 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 11.7 t -155.61 152.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.578 HG22 HG23 ' A' ' 56' ' ' THR . 22.3 mt -79.55 110.18 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -83.86 106.81 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.578 HG23 HG22 ' A' ' 54' ' ' ILE . 17.2 p -124.78 177.89 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.1 51.18 2.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.65 -42.63 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -162.51 148.39 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p-10 -34.5 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -40.41 -40.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 66' ' ' ASN . 12.6 mm -60.96 -49.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m -50.36 -46.04 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.5 -47.03 58.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.14 -24.38 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.517 ' OD1' HG22 ' A' ' 62' ' ' ILE . 7.2 m120 -62.68 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 m -95.18 45.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 9.3 p -48.1 -19.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.71 -20.55 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.5 m -87.95 -37.09 16.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.716 ' CZ2' HG21 ' A' ' 53' ' ' THR . 12.0 m95 -40.31 146.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.572 ' C ' HD13 ' A' ' 73' ' ' ILE . 12.0 mtm -96.78 125.69 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.717 HD12 ' HG2' ' A' ' 51' ' ' GLN . 5.3 mm -114.22 158.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.782 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 94.3 t -134.9 90.42 22.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 175.81 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 63.7 53.08 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 74' ' ' VAL . 30.9 mt -112.68 106.84 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -114.77 42.97 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -140.44 171.52 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.444 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.4 m120 -98.36 6.54 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -161.53 122.74 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.782 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.0 t80 -120.45 118.76 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -81.62 114.09 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.9 131.57 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.03 151.99 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.06 42.45 4.98 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.602 HD22 ' CE1' ' A' ' 93' ' ' TYR . 66.4 mt -108.1 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -107.06 146.02 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.4 p -74.09 157.61 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.29 40.89 2.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.5 m -130.62 141.71 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -71.89 148.73 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.602 ' CE1' HD22 ' A' ' 87' ' ' LEU . 20.8 m-85 -151.52 116.85 5.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 47.0 mt -89.86 140.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 113' ' ' LEU . 54.3 m-85 -124.96 134.25 52.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 110' ' ' PRO . 57.3 mt -138.28 107.9 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' A' ' 19' ' ' PRO . 53.6 t -83.15 126.43 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.56 ' O ' HD12 ' A' ' 100' ' ' ILE . 25.7 ttpt -115.42 108.85 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.73 127.91 33.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.3 mp -118.36 133.15 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.425 ' ND2' HD11 ' A' ' 13' ' ' LEU . 41.2 p-10 -138.63 -174.96 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.57 -35.43 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.538 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . . . -69.84 -59.54 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.05 -137.79 2.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 t -144.43 154.85 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.47 113.07 8.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.4 126.1 30.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p -81.72 177.2 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.99 149.14 87.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.2 Cg_endo -69.84 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.7 m -96.24 110.1 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.53 ' O ' HD23 ' A' ' 113' ' ' LEU . 17.8 mmm-85 -72.86 129.91 39.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' A' ' 95' ' ' PHE . 71.9 mt -142.36 142.62 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -121.8 148.58 44.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.653 HG23 HD11 ' A' ' 33' ' ' ILE . 18.7 p -91.21 170.22 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.6 171.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.7 t -52.28 -178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 29.3 tt0 -81.18 139.49 48.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.598 0.714 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 118' ' ' GLN . 54.1 Cg_endo -69.7 -172.63 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.656 2.238 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -77.29 121.75 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -97.74 152.18 19.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.5 t -168.56 165.33 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -76.2 -166.72 22.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.748 2.298 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.6 p -167.66 133.82 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.0 m 60.31 42.0 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t -166.54 134.31 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -80.47 155.26 27.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.15 70.3 0.52 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -126.98 35.49 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -152.39 -179.09 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -177.78 71.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER 31.83 40.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.38 . . . . 0.0 110.898 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 99.76 -103.47 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.6 mm? -111.89 135.52 52.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.8 42.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 14' ' ' THR . 0.4 OUTLIER -47.54 170.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.678 HD23 ' HB2' ' A' ' 103' ' ' ALA . 10.1 tt -88.62 -38.08 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.691 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 14.7 t -33.08 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -141.71 136.18 15.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.05 49.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -60.43 141.94 91.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.64 9.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 148.27 64.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.2 m -106.29 117.7 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -79.64 117.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.588 ' HG3' HD12 ' A' ' 25' ' ' LEU . 40.6 mmm-85 -86.19 123.22 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -88.02 -20.59 25.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -81.74 -20.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD12 ' HG3' ' A' ' 22' ' ' ARG . 16.0 mt -99.25 -24.91 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 p -75.03 134.8 41.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 p -105.73 158.96 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.18 133.81 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.2 t -132.64 158.07 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.513 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 2.1 p-80 -33.21 -69.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 40.4 p30 -119.3 44.2 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 ' CG2' HG22 ' A' ' 83' ' ' THR . 0.7 OUTLIER -161.5 154.97 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.59 HD11 HG23 ' A' ' 115' ' ' THR . 30.6 mt -156.66 129.76 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -109.51 105.41 14.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 95' ' ' PHE . 61.1 t -91.38 131.22 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -110.9 121.25 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.499 ' CE3' HG21 ' A' ' 97' ' ' VAL . 19.6 p90 -109.38 141.53 41.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 20' ' ' SER . 3.7 tp -118.98 137.15 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -136.19 157.22 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.56 -29.26 24.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.58 105.12 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -119.68 21.81 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -90.1 -39.35 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -74.92 -43.62 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 100' ' ' ILE . 62.6 mt -45.06 127.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -78.78 -41.11 31.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.1 p -162.19 154.73 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.9 m-85 -102.24 156.89 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.16 126.22 40.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.2 148.62 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.34 114.44 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.483 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 13.1 p90 -129.72 150.0 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.704 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 8.4 t -156.28 156.04 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.87 124.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CD1' HD11 ' A' ' 94' ' ' ILE . 74.9 t80 -104.26 105.37 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLY . 2.7 t -142.63 158.2 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' THR . . . -35.17 125.81 0.65 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.47 ' HG2' ' N ' ' A' ' 59' ' ' ALA . 18.2 tt0 -155.7 157.58 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 58' ' ' GLN . . . -33.96 -46.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' ND2' ' HB ' ' A' ' 62' ' ' ILE . 19.1 t30 -174.15 134.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -47.99 -40.65 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.401 ' HB ' ' ND2' ' A' ' 60' ' ' ASN . 23.6 mm -59.27 -46.53 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -44.57 -46.56 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.58 -60.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -44.77 -30.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.58 -47.96 81.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -88.36 47.42 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' TRP . 3.6 p -45.27 -33.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -39.5 -30.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -75.2 -40.44 59.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.704 ' CZ2' HG21 ' A' ' 53' ' ' THR . 11.4 m95 -40.98 151.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -91.39 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.27 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.69 HG11 ' CE2' ' A' ' 82' ' ' TYR . 82.5 t -131.42 94.68 25.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.73 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.544 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 2.5 p-10 48.34 49.43 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.898 HG23 ' NE2' ' A' ' 79' ' ' GLN . 22.7 mt -104.93 107.64 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.3 42.13 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.898 ' NE2' HG23 ' A' ' 77' ' ' ILE . 14.7 pm0 -140.16 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.482 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -104.83 14.14 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -172.54 122.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.69 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.5 t80 -112.53 120.23 40.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.404 HG22 ' CG2' ' A' ' 32' ' ' THR . 7.2 m -84.01 110.94 18.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.405 HG21 ' HE2' ' A' ' 95' ' ' PHE . 45.9 t -85.54 104.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -96.21 133.01 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.93 34.35 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' CD1' HG13 ' A' ' 33' ' ' ILE . 38.9 mt -94.65 -175.33 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -112.51 139.97 47.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 p -63.49 148.62 48.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.7 60.05 2.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -144.45 137.07 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -71.92 143.45 49.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.412 ' CE1' HD22 ' A' ' 87' ' ' LEU . 21.3 m-85 -144.64 118.23 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.668 HD11 ' CD1' ' A' ' 55' ' ' PHE . 91.2 mt -94.44 127.29 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 113' ' ' LEU . 92.7 m-85 -111.5 146.35 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.596 HD11 ' HB3' ' A' ' 110' ' ' PRO . 64.6 mt -147.1 107.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.499 HG21 ' CE3' ' A' ' 37' ' ' TRP . 66.2 t -89.42 132.96 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -128.78 111.66 13.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -72.89 146.21 46.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.9 mt -132.88 143.59 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -150.43 -178.42 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.36 -27.17 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.691 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -78.74 -71.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.21 -139.81 2.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 p -150.88 149.72 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.96 115.73 16.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -84.03 131.83 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -84.48 176.33 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.49 151.06 87.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.596 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.3 Cg_endo -69.74 129.35 17.47 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.0 m -113.7 106.32 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.485 ' CG ' HG12 ' A' ' 94' ' ' ILE . 12.4 mtt85 -73.85 123.13 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 95' ' ' PHE . 54.9 mt -131.95 144.7 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.9 149.91 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.59 HG23 HD11 ' A' ' 33' ' ' ILE . 19.0 p -93.41 160.95 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -60.61 131.3 50.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.8 m -38.04 -72.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.476 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 3.9 tt0 -135.52 141.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.513 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.76 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.91 139.29 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -86.09 123.16 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.2 t -117.84 40.05 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.37 67.21 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 117.77 5.28 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -61.66 132.49 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.7 m -108.49 140.33 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -113.85 42.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -38.56 -50.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.36 -147.93 19.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -71.06 81.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -63.52 -36.07 82.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.22 -150.07 18.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -158.25 114.4 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.543 ' C ' HD22 ' A' ' 10' ' ' LEU . . . -74.65 -175.36 34.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.543 HD22 ' C ' ' A' ' 9' ' ' GLY . 4.2 mm? -119.71 -176.36 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.971 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -84.14 31.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.665 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -104.61 135.65 45.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.882 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.1 tt -127.95 -7.59 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 1.6 t -37.42 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -143.37 141.29 18.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.75 129.75 18.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.66 134.2 10.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 53.5 Cg_endo -69.73 123.33 10.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 18' ' ' PRO . 54.1 Cg_endo -69.78 146.17 59.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.655 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.1 m -107.23 107.34 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.69 114.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -84.28 105.19 14.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.69 -37.16 76.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 10.0 pt-20 -58.19 -37.51 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 16.7 mt -84.28 -27.35 27.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.7 m -54.34 160.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -146.34 137.3 24.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -113.63 137.87 50.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -129.49 167.08 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 13.8 p-80 -42.2 -64.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 1.4 m-20 -124.71 35.66 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 83' ' ' THR . 2.9 m -156.34 154.74 31.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.652 HD11 ' CG2' ' A' ' 115' ' ' THR . 73.4 mt -154.68 131.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 83' ' ' THR . 99.0 m -113.93 113.42 24.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 95' ' ' PHE . 58.2 t -98.33 130.29 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' A' ' 34' ' ' THR . 7.8 m170 -108.18 125.04 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.479 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 23.4 p90 -115.72 139.17 50.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 20' ' ' SER . 3.3 tp -107.6 139.42 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 38' ' ' ILE . 15.2 p -138.44 149.01 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.45 -31.81 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' OD2' ' CE2' ' A' ' 43' ' ' PHE . 1.1 m-20 -156.38 110.05 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.6 22.14 16.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CE2' ' OD2' ' A' ' 41' ' ' ASP . 1.8 m-85 -81.66 -41.96 20.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 m -74.61 -36.93 62.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.05 122.38 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -65.49 -43.15 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -169.09 161.06 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.41 154.66 19.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' CG2' ' A' ' 73' ' ' ILE . 10.7 tt0 -124.74 131.61 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 82' ' ' TYR . 14.7 tp -107.66 120.34 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.994 ' HG2' HD12 ' A' ' 73' ' ' ILE . 54.8 mt-30 -115.51 119.61 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -131.2 147.64 52.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.621 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 15.3 t -155.12 146.32 22.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.1 mt -75.14 122.04 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.482 ' CD2' HD11 ' A' ' 94' ' ' ILE . 25.4 t80 -106.95 104.83 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.9 p -109.12 78.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 33.54 44.29 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 15.9 mm-40 -56.99 136.07 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' GLN . . . -34.38 -47.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -150.35 139.11 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.1 -28.28 69.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.54 -50.08 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.6 t -46.69 -47.29 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.25 -51.64 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -56.05 -23.55 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.28 -39.31 94.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -98.03 44.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.546 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 5.3 p -49.65 -19.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -22.95 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' TRP . 11.3 t -88.39 -36.18 16.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.621 ' CZ2' HG21 ' A' ' 53' ' ' THR . 9.7 m95 -38.24 146.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.509 ' C ' HD13 ' A' ' 73' ' ' ILE . 11.3 mtm -99.65 125.61 45.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.994 HD12 ' HG2' ' A' ' 51' ' ' GLN . 8.2 mm -113.34 161.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.764 HG11 ' CE2' ' A' ' 82' ' ' TYR . 97.9 t -135.0 88.72 26.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.12 7.18 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 62.96 54.75 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.542 HD11 ' O ' ' A' ' 74' ' ' VAL . 47.6 mt -112.53 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -118.82 41.61 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -138.8 173.13 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.479 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.0 m120 -99.71 12.77 35.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -171.86 121.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.764 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.2 t80 -112.43 123.92 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.427 HG22 ' CG2' ' A' ' 32' ' ' THR . 10.6 m -89.45 107.74 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -83.52 111.62 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.71 149.67 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.79 39.89 4.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 93' ' ' TYR . 45.3 mt -103.7 -179.99 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -99.77 148.88 23.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 p -81.21 141.82 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.79 57.2 16.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -147.72 141.98 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.432 ' HG2' ' CG ' ' A' ' 114' ' ' LYS . 32.5 mtt180 -71.92 140.79 49.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.615 ' CE2' HD22 ' A' ' 87' ' ' LEU . 17.1 m-85 -140.83 119.19 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 55' ' ' PHE . 66.8 mt -89.92 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' CD1' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -129.11 134.62 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.564 HD11 ' HB3' ' A' ' 110' ' ' PRO . 46.1 mt -136.28 109.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.427 HG21 ' CE3' ' A' ' 37' ' ' TRP . 57.8 t -82.98 135.46 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HD3' ' CG1' ' A' ' 100' ' ' ILE . 13.9 ttmt -123.48 129.46 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -99.56 111.22 23.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 12.7 mt -106.29 130.54 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -136.51 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.49 -38.1 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.82 -72.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.28 -139.7 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 p -140.78 153.89 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -138.28 105.08 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -79.68 130.84 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.5 p -83.52 175.03 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.81 150.81 93.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.564 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.7 Cg_endo -69.77 119.77 6.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.7 m -99.92 105.75 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -72.99 127.05 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.61 HD12 ' CD1' ' A' ' 95' ' ' PHE . 89.3 mt -132.33 158.7 41.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 92' ' ' ARG . 28.7 mtpt -132.25 138.99 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.816 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.3 p -85.41 173.84 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -86.8 152.0 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 p -44.72 -69.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -135.99 163.03 53.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.73 -7.86 22.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -112.33 137.5 50.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -77.63 142.88 38.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 99.6 p -84.6 -38.87 19.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.78 81.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.04 2.3 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.3 m -73.0 126.84 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.1 p -42.29 -48.04 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -41.92 -45.19 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -136.6 163.73 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.61 41.09 44.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -109.31 112.67 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -127.26 -46.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -81.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.14 137.73 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . -134.21 -117.43 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLY . 87.2 mt -37.16 104.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.5 -40.82 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -46.76 140.41 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.518 HD11 ' ND2' ' A' ' 101' ' ' ASN . 22.7 tp -124.97 -10.02 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -35.37 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.15 137.87 18.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.1 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.751 2.301 . . . . 0.0 112.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -41.07 135.83 1.68 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.22 20.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.94 20.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.67 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.7 m -122.27 100.45 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.17 101.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.628 ' HG3' HD12 ' A' ' 25' ' ' LEU . 34.6 mmm-85 -71.36 125.31 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -88.07 -25.89 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.19 -20.52 48.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 ' HG3' ' A' ' 22' ' ' ARG . 44.2 mt -96.77 -26.11 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -74.97 139.18 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 p -114.81 162.63 16.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.62 135.23 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.2 m -129.25 166.01 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 16.1 p-80 -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -124.93 39.48 3.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.61 HG21 ' CE1' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -160.93 153.45 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.603 HD11 ' CG2' ' A' ' 115' ' ' THR . 65.9 mt -153.63 135.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 m -111.75 108.8 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.545 HG21 ' CG ' ' A' ' 95' ' ' PHE . 66.9 t -93.15 125.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -107.82 127.33 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 97' ' ' VAL . 26.4 p90 -122.84 148.9 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.67 HG23 ' HB2' ' A' ' 20' ' ' SER . 3.8 tt -128.34 147.97 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -139.16 154.57 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.69 -36.79 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.91 99.66 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.9 -25.33 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -45.76 -38.26 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -71.21 -40.85 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 100' ' ' ILE . 41.0 mt -65.23 116.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -79.1 -24.84 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.404 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 23.9 p -166.75 155.08 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.29 153.15 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 73' ' ' ILE . 13.2 tt0 -127.25 130.38 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 14.7 tp -98.17 150.19 21.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -148.22 114.35 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 19.4 p90 -132.19 153.77 50.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.55 HG21 ' CE2' ' A' ' 71' ' ' TRP . 15.0 t -158.61 140.37 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.542 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 58.7 mt -70.19 116.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CD2' HD11 ' A' ' 94' ' ' ILE . 32.3 t80 -92.43 118.94 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.438 HG23 HG22 ' A' ' 54' ' ' ILE . 71.9 p -125.51 169.64 12.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.77 89.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ALA . 6.5 tt0 -129.59 168.27 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -49.12 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' PHE . 3.0 m120 -34.86 126.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 60' ' ' ASN . 26.3 t80 -34.36 -50.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' ASN . 43.3 mm -36.81 -47.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -48.95 -45.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 61' ' ' PHE . 24.3 tp -77.89 -51.01 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 68' ' ' VAL . 6.8 t80 -61.99 -17.26 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' ILE . 30.8 m-20 -62.92 -47.19 84.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.4 m -95.23 54.28 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 65' ' ' TYR . 54.6 t -52.95 -33.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -41.74 -29.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 m -72.95 -38.47 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.624 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 12.4 m95 -38.17 157.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 11.1 mtm -96.83 123.14 40.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.44 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -115.26 143.08 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.607 ' O ' HD11 ' A' ' 77' ' ' ILE . 75.5 t -134.95 96.25 14.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 0.0 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.0 Cg_endo -69.77 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.52 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 2.6 p-10 48.5 51.85 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.607 HD11 ' O ' ' A' ' 74' ' ' VAL . 18.4 mt -113.65 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 47' ' ' SER . 0.0 OUTLIER -107.06 41.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.31 171.4 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -99.33 11.23 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -166.78 126.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.4 t80 -119.76 115.66 24.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -81.64 113.72 19.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.26 117.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.61 ' CE1' HG21 ' A' ' 32' ' ' THR . 4.6 m80 -103.91 135.61 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.82 35.38 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.794 HD22 ' CE1' ' A' ' 93' ' ' TYR . 53.5 mt -99.15 -176.74 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -112.79 147.25 37.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 p -68.02 150.4 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 37.95 63.58 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.0 m -145.98 143.23 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -71.74 141.19 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.794 ' CE1' HD22 ' A' ' 87' ' ' LEU . 15.8 m-85 -145.27 114.1 6.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 55' ' ' PHE . 39.1 mt -89.81 141.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CG ' HG21 ' A' ' 35' ' ' VAL . 89.6 m-85 -130.71 142.87 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.604 HG21 ' ND2' ' A' ' 107' ' ' ASN . 90.7 mt -149.08 110.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.546 HG21 ' CE3' ' A' ' 37' ' ' TRP . 90.5 t -82.05 137.4 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -120.06 108.54 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -76.95 120.71 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 45' ' ' ILE . 24.4 mt -110.77 141.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.518 ' ND2' HD11 ' A' ' 13' ' ' LEU . 48.8 p-10 -150.95 -177.95 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.21 -31.14 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -74.74 -72.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.94 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.3 p -137.71 163.32 31.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -146.54 119.1 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.604 ' ND2' HG21 ' A' ' 96' ' ' ILE . 11.9 t30 -88.13 123.89 33.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' ILE . 3.2 t -76.61 171.99 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 150.81 97.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 95.2 m -95.86 104.06 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 129.12 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 95' ' ' PHE . 67.0 mt -136.39 146.13 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -121.98 135.61 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.648 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 69.1 p -79.49 170.79 16.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 117' ' ' SER . 17.8 m120 -77.4 131.81 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 116' ' ' ASN . 73.1 m -33.75 -71.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 7.5 tt0 -135.16 140.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.522 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -4.39 13.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -118.01 134.14 55.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 151.54 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.5 m -115.26 36.18 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.1 140.28 5.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.06 24.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.2 t -168.56 158.14 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.2 p -75.93 132.97 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -38.83 131.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -102.79 -48.47 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.4 -53.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' SER . 70.7 m -47.69 112.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.2 m -36.69 -55.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.48 173.79 20.98 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 88.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.2 -95.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.87 102.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.98 35.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -106.03 142.33 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -125.43 -8.67 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.547 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -29.96 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.15 131.07 14.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.09 10.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.14 138.18 14.01 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.626 0.727 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 123.84 10.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 162.19 43.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.528 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.7 m -121.16 108.95 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.514 HG23 HG13 ' A' ' 35' ' ' VAL . 93.0 mt -71.52 104.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -70.33 96.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -62.43 -31.64 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.36 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 mt -84.41 -26.89 27.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.6 m -53.98 163.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.6 p -147.43 140.32 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.765 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -115.48 134.47 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 20.7 m -127.76 166.88 17.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.2 p-80 -37.44 -71.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 m-20 -119.23 23.38 11.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.43 156.8 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.742 HD11 HG23 ' A' ' 115' ' ' THR . 59.8 mt -156.57 132.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 m -114.82 118.68 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG13 HG23 ' A' ' 21' ' ' ILE . 96.7 t -104.8 129.21 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -108.42 119.94 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -109.79 132.37 54.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 20' ' ' SER . 2.4 tp -103.17 128.98 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -138.72 146.53 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -111.53 83.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -114.98 21.88 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -92.54 -33.07 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -82.05 -44.09 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.458 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.6 mt -43.6 121.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -64.13 -40.18 95.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -169.16 158.19 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.96 148.59 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -124.54 133.01 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 tp -107.55 135.38 49.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.16 121.12 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 22.0 p90 -133.7 146.83 51.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -155.67 153.55 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.417 HG22 HG23 ' A' ' 56' ' ' THR . 33.2 mt -78.5 119.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 94' ' ' ILE . 32.0 t80 -90.67 117.27 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.417 HG23 HG22 ' A' ' 54' ' ' ILE . 50.2 p -123.08 170.27 10.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.99 88.61 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 59' ' ' ALA . 49.1 tt0 -107.81 160.35 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 58' ' ' GLN . . . -41.89 -53.22 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -146.84 143.29 28.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -63.28 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 mm -61.17 -41.83 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -48.84 -37.72 20.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.2 tp -83.57 -59.25 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -46.1 -34.91 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.65 -43.25 97.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m -96.36 77.83 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 68' ' ' VAL . 7.0 m -75.78 52.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -93.81 -32.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' TRP . 8.5 m -88.18 -40.03 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' SER . 42.4 m95 -36.57 130.65 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.6 mtm -89.83 148.81 22.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.78 142.63 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.561 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 89.8 t -134.63 91.54 21.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -177.05 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 62.1 50.06 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 74' ' ' VAL . 28.6 mt -109.28 101.41 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -111.43 43.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.68 169.98 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.04 14.79 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -170.24 123.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 4.5 t80 -121.67 120.48 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.6 m -83.45 110.98 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.2 t -81.9 125.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -112.17 143.28 43.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.78 42.57 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 93' ' ' TYR . 19.3 mt -107.5 179.97 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -104.66 139.28 39.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 p -68.78 142.97 54.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.24 62.4 4.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.6 m -150.37 145.63 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -72.11 142.0 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 87' ' ' LEU . 18.8 m-85 -143.01 124.15 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' A' ' 55' ' ' PHE . 75.7 mt -99.15 133.78 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.489 ' CD1' HD12 ' A' ' 113' ' ' LEU . 96.2 m-85 -120.9 142.9 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 110' ' ' PRO . 52.6 mt -145.54 110.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.5 t -84.44 126.62 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 100' ' ' ILE . 22.4 ttpt -118.91 112.9 20.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -83.19 131.23 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.3 mp -120.51 138.92 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.402 HD21 ' HB3' ' A' ' 103' ' ' ALA . 27.4 p-10 -142.4 173.46 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -48.03 -31.6 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -75.32 -72.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.61 -134.36 1.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.9 t -154.05 156.57 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -139.94 113.34 8.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -80.25 135.12 36.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -87.28 178.96 6.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.48 150.46 86.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.709 0.766 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 121.5 8.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.3 m -100.21 108.27 20.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -74.23 129.83 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 95' ' ' PHE . 91.7 mt -141.49 140.43 33.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 2.4 mtpm? -118.06 135.73 54.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.765 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 24.0 p -80.87 166.35 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' A' ' 117' ' ' SER . 7.6 m120 -80.57 138.79 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 116' ' ' ASN . 18.5 m -33.13 -69.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -135.91 162.73 55.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.83 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -63.17 135.96 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -72.04 127.72 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 t -75.99 -63.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.05 -177.69 19.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 164.0 36.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.9 t -70.96 98.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.6 m -64.51 102.03 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -133.0 -58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -168.54 156.81 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 164.83 31.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -174.86 171.34 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -87.05 143.01 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.53 174.92 40.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' GLU . 5.8 tm-20 -129.5 104.74 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' C ' HD12 ' A' ' 10' ' ' LEU . . . -103.6 -120.21 4.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.616 HD12 ' C ' ' A' ' 9' ' ' GLY . 4.0 mp -142.31 164.78 29.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -91.19 31.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -101.56 136.05 42.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.758 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.6 tt -129.48 -6.79 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.779 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 1.5 t -32.86 -40.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.84 143.05 35.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.682 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 125.35 12.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -52.38 138.35 39.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.87 16.66 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.567 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.9 m -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.51 105.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 6.0 mmp_? -79.84 126.62 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.25 -27.98 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.54 -25.14 59.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.17 -29.98 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.0 p -71.6 145.08 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -123.88 153.06 41.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -119.62 134.34 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' HIS . 15.0 m -128.84 166.6 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 4.3 p-80 -35.98 -72.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.51 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.7 m-20 -116.39 11.77 15.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.428 ' C ' HG13 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -124.81 157.27 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.581 HD11 ' CG2' ' A' ' 115' ' ' THR . 60.6 mt -157.54 130.79 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -110.59 114.5 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' A' ' 95' ' ' PHE . 87.0 t -102.95 124.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -105.43 126.02 51.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.643 ' CE3' HG21 ' A' ' 97' ' ' VAL . 16.3 p90 -117.31 133.39 56.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.8 tp -110.85 128.89 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 142.76 51.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.02 -9.46 30.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -175.16 126.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.32 21.51 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.22 -37.64 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 m -76.43 -44.15 37.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 100' ' ' ILE . 71.4 mt -50.56 122.43 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.64 -36.2 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 p -163.42 165.64 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 4.5 m-85 -111.49 171.03 7.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -127.9 145.59 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 82' ' ' TYR . 15.5 tp -130.42 119.48 22.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.491 ' NE2' HG12 ' A' ' 73' ' ' ILE . 9.5 mt-30 -122.31 135.83 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.615 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 3.4 p90 -150.3 145.06 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.499 HG22 ' CZ3' ' A' ' 71' ' ' TRP . 9.9 t -155.7 151.77 27.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.423 HG22 HG22 ' A' ' 56' ' ' THR . 32.5 mt -69.51 117.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 94' ' ' ILE . 36.1 t80 -98.02 105.78 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.423 HG22 HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.46 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -36.29 116.12 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -139.87 170.48 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.07 -57.5 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 39.9 t30 -172.14 122.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' ILE . 37.8 t80 -37.2 -63.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' PHE . 6.6 mm -34.3 -53.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -44.53 -65.95 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.68 -55.25 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.4 -26.33 12.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.97 -47.58 79.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -92.42 53.99 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 2.5 p -53.17 -17.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.27 -20.32 41.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 t -86.12 -34.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.499 ' CZ3' HG22 ' A' ' 53' ' ' THR . 16.6 m95 -45.73 150.16 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.615 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.5 ptp -92.2 141.47 28.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.624 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -136.94 152.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.67 ' O ' HD11 ' A' ' 77' ' ' ILE . 79.3 t -130.35 92.07 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.78 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 63.81 46.5 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 74' ' ' VAL . 52.2 mt -109.07 126.45 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -134.92 40.76 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -135.49 166.45 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -93.48 12.96 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -171.65 124.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.627 ' CD1' HD22 ' A' ' 50' ' ' LEU . 14.2 t80 -116.03 114.53 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.7 m -77.08 113.41 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG21 ' HE2' ' A' ' 95' ' ' PHE . 88.0 t -84.5 131.69 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -121.77 130.22 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.51 50.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.841 HD22 ' CE2' ' A' ' 93' ' ' TYR . 21.7 mt -119.45 -175.49 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -113.22 139.2 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -63.38 147.43 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.33 55.1 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -141.09 141.14 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 43.0 mtt180 -72.02 154.87 40.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.841 ' CE2' HD22 ' A' ' 87' ' ' LEU . 24.6 m-85 -157.05 119.16 3.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 55' ' ' PHE . 67.1 mt -91.47 116.33 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.681 ' CD1' HD12 ' A' ' 113' ' ' LEU . 73.3 m-85 -99.77 138.37 36.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' A' ' 110' ' ' PRO . 51.6 mt -139.05 105.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.643 HG21 ' CE3' ' A' ' 37' ' ' TRP . 77.2 t -88.6 139.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 49' ' ' GLU . 21.2 ttpp -132.29 130.07 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -92.42 131.39 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 45' ' ' ILE . 5.1 mp -120.42 141.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -152.63 179.9 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.95 -34.51 59.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.779 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -69.82 -71.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.62 -142.69 3.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.5 p -144.59 153.64 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -141.25 111.1 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.52 129.14 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -77.78 179.01 6.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.28 151.12 83.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.66 0.743 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.491 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.5 Cg_endo -69.76 113.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -99.32 103.91 15.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -72.91 131.08 41.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 95' ' ' PHE . 78.8 mt -128.56 168.79 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -138.88 131.61 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.691 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 40.2 p -79.76 165.92 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 85.6 m-20 -76.95 168.67 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.1 m -58.14 -71.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -135.17 162.12 59.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.75 -21.57 33.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -123.03 124.24 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -101.59 141.83 33.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.5 m -119.43 95.31 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.407 ' HA2' ' HD2' ' A' ' 124' ' ' PRO . . . -160.93 98.03 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.407 ' HD2' ' HA2' ' A' ' 123' ' ' GLY . 53.7 Cg_endo -69.78 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.9 t -121.17 141.58 50.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 m -138.39 127.14 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -79.8 117.86 21.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -128.12 144.23 51.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.31 -107.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -96.15 42.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 68.9 44.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.4 -133.31 3.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -51.3 95.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.49 158.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.722 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -155.12 123.62 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.68 49.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.14 174.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD23 ' HB2' ' A' ' 103' ' ' ALA . 7.2 tt -110.54 -38.94 5.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.746 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 6.1 t -27.03 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -135.47 135.86 23.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.9 20.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -52.86 137.58 45.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.34 15.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.69 156.79 62.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.519 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.6 m -112.0 99.98 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.419 HD11 ' H ' ' A' ' 97' ' ' VAL . 91.7 mt -64.94 104.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -77.87 127.11 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -88.02 -30.4 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.21 -24.05 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.6 mt -92.85 -30.16 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.97 154.13 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 p -130.77 149.92 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.95 131.39 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 32' ' ' THR . 1.1 t -128.32 166.57 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.495 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 7.9 p-80 -42.28 -68.04 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' HG23 ' A' ' 32' ' ' THR . 1.0 OUTLIER -122.1 37.88 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -161.2 135.64 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.72 HD11 HG23 ' A' ' 115' ' ' THR . 82.5 mt -137.31 134.3 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -112.35 110.7 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG21 ' CG ' ' A' ' 95' ' ' PHE . 97.2 t -99.17 132.0 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -111.97 124.14 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.489 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 17.7 p90 -112.16 134.47 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.7 tp -110.99 129.23 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.8 t -131.11 153.35 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 41' ' ' ASP . 20.0 p-10 -89.7 -31.49 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 2.3 m-20 -131.51 100.78 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -113.38 -33.7 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.27 -31.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -79.6 -45.94 18.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.63 120.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 -45.22 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.2 p -155.2 158.61 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -107.19 157.69 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -132.02 133.53 44.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.489 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 tp -108.56 141.18 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.711 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.7 mt-30 -130.18 116.13 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.05 145.52 50.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.403 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 10.7 t -157.39 143.39 17.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.572 HG22 HG23 ' A' ' 56' ' ' THR . 33.7 mt -69.31 114.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -95.47 104.71 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.572 HG23 HG22 ' A' ' 54' ' ' ILE . 44.8 p -122.76 174.13 7.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.02 104.81 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.7 tt0 -160.0 176.13 12.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -34.29 148.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.2 t-20 -34.24 135.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.03 -42.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.45 HG22 ' ND2' ' A' ' 66' ' ' ASN . 30.5 mm -50.06 -45.13 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -52.92 -59.81 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.56 -56.79 14.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 68' ' ' VAL . 12.4 t80 -51.81 -33.16 34.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.45 ' ND2' HG22 ' A' ' 62' ' ' ILE . 27.7 m-20 -59.83 -34.55 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -106.64 67.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 65' ' ' TYR . 45.3 t -74.84 61.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.6 -32.12 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' TRP . 52.7 m -88.05 -31.74 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.66 ' CG ' HG13 ' A' ' 68' ' ' VAL . 24.9 m95 -33.91 133.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.438 ' C ' HD13 ' A' ' 73' ' ' ILE . 11.5 mtm -91.97 122.2 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.711 HD12 ' HG2' ' A' ' 51' ' ' GLN . 4.9 mm -110.25 156.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.635 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 96.5 t -135.0 94.43 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.7 -166.18 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.6 p-10 47.72 54.4 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 74' ' ' VAL . 16.7 mt -108.9 108.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -118.21 43.25 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.38 166.96 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -87.89 -6.74 57.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -153.87 133.01 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.635 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 9.3 t80 -122.75 129.89 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 m -92.16 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.5 t -78.0 124.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -105.5 149.89 25.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 43.69 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 93' ' ' TYR . 19.7 mt -106.54 171.06 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -97.76 137.4 36.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.3 p -69.07 149.11 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.32 51.79 9.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -141.91 146.22 35.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.749 0.309 . . . . 0.0 111.149 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' CD ' ' HE ' ' A' ' 112' ' ' ARG . 14.4 mtt85 -72.69 147.86 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.5 m-85 -148.57 119.45 7.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.474 HG12 ' CG ' ' A' ' 112' ' ' ARG . 50.0 mt -89.77 142.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.659 ' CD2' HD12 ' A' ' 113' ' ' LEU . 91.8 m-85 -128.85 134.98 48.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 20.5 mt -141.09 106.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.439 HG12 ' HG3' ' A' ' 19' ' ' PRO . 73.3 t -83.3 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.523 ' HD3' ' ND2' ' A' ' 107' ' ' ASN . 21.1 ttpp -128.45 110.85 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.37 136.08 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.3 mt -124.38 131.6 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -138.95 -175.14 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -59.74 -34.3 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -70.47 -55.84 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.77 -133.55 1.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.5 p -149.12 162.96 38.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.385 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.02 113.24 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.523 ' ND2' ' HD3' ' A' ' 98' ' ' LYS . 19.2 m-80 -81.08 133.79 35.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.4 p -89.32 177.91 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.91 151.23 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.7 m -120.22 101.02 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.474 ' CG ' HG12 ' A' ' 94' ' ' ILE . 2.8 mtp-105 -73.31 128.07 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.659 HD12 ' CD2' ' A' ' 95' ' ' PHE . 88.1 mt -128.02 150.25 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 31.1 mtpt -117.27 132.18 56.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.72 HG23 HD11 ' A' ' 33' ' ' ILE . 19.2 p -82.56 163.5 21.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 117' ' ' SER . 4.7 m-20 -72.53 139.11 47.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 116' ' ' ASN . 23.1 p -36.79 -68.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -135.09 162.09 59.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.495 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.74 -174.94 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.3 103.18 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -91.16 113.59 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.5 t -106.29 -61.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 136.23 -152.1 21.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.9 p -47.09 -59.48 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t 72.07 43.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -127.71 141.86 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p -62.77 -52.9 61.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.56 126.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -75.94 96.78 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -89.55 144.6 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -78.91 119.6 5.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 7' ' ' GLY . 41.6 tp10 -34.39 -58.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.62 -54.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.66 -24.7 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 11' ' ' ASP . 26.5 t70 43.83 26.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' HB3' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -43.31 153.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.789 HD23 ' HB2' ' A' ' 103' ' ' ALA . 8.3 tt -70.43 -40.66 73.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.712 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 15.2 t -31.72 -37.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -144.42 131.07 10.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.546 0.688 . . . . 0.0 111.091 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 136.93 34.33 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' CG ' ' OD1' ' A' ' 11' ' ' ASP . 12.8 m-20 -57.68 141.64 79.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.88 10.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.22 59.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -103.73 120.82 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.55 120.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' HD12 ' A' ' 25' ' ' LEU . 13.6 mmm180 -88.35 123.67 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.82 -21.89 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.453 HD12 ' HG3' ' A' ' 22' ' ' ARG . 56.3 mt -97.04 -29.28 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.3 p -71.63 147.53 47.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 33' ' ' ILE . 55.9 p -123.04 162.67 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.6 137.03 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.7 m -132.31 165.95 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 3.5 p-80 -35.17 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 19.2 p30 -118.2 34.56 5.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 ' C ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -152.49 154.63 35.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 115' ' ' THR . 70.8 mt -154.96 138.55 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -114.02 109.79 19.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.4 t -95.26 136.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -116.26 119.42 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CE3' HG21 ' A' ' 97' ' ' VAL . 30.7 p90 -112.05 132.11 55.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.98 135.59 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -138.6 139.68 38.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.35 14.99 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.55 120.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.0 pt-20 -132.92 -32.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' GLU . 22.4 m-85 -36.23 -38.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -78.17 -40.29 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' GLU . 48.6 mt -62.2 127.14 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.2 m -81.89 -39.17 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.3 p -163.15 154.28 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -103.35 153.02 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.639 ' CD ' HD13 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -129.29 143.08 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.34 138.99 47.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -135.49 113.96 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.581 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 49.0 p90 -129.33 149.84 50.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.699 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 14.6 t -154.88 141.43 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.3 117.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.793 ' CD2' HD11 ' A' ' 94' ' ' ILE . 33.8 t80 -96.77 113.47 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -121.04 -179.87 4.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.12 43.58 3.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.36 174.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.1 -49.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -172.53 156.29 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.38 -45.61 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 33.6 mm -48.67 -53.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -46.4 -51.24 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -64.19 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -46.79 -24.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -59.6 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 m -102.61 75.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 68' ' ' VAL . 10.5 p -76.75 43.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -95.06 -34.34 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 71' ' ' TRP . 3.9 m -80.84 -36.54 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.699 ' CZ2' HG21 ' A' ' 53' ' ' THR . 20.7 m95 -32.09 146.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.407 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.9 mpp? -93.54 150.81 20.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 72' ' ' MET . 5.3 mp -141.84 143.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HD11 ' A' ' 77' ' ' ILE . 99.4 t -133.84 93.54 20.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.67 -179.21 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.94 49.29 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.521 HD11 ' O ' ' A' ' 74' ' ' VAL . 35.7 mt -109.82 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -112.54 44.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -141.21 170.75 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -97.23 10.22 40.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -167.3 129.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -123.37 131.4 53.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 m -90.78 106.95 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.61 HG21 ' HE1' ' A' ' 95' ' ' PHE . 62.3 t -78.3 121.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -106.49 146.08 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 49.13 3.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 93' ' ' TYR . 37.8 mt -111.28 177.24 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -104.57 135.86 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 m -73.55 142.44 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.64 85.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -146.29 142.17 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.453 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 38.6 mtt-85 -73.44 139.06 45.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.538 ' CE2' HD22 ' A' ' 87' ' ' LEU . 15.2 m-85 -135.59 120.98 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 55' ' ' PHE . 84.0 mt -95.25 128.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' HE1' HG21 ' A' ' 84' ' ' VAL . 96.6 m-85 -116.3 140.92 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.416 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 39.8 mt -138.89 107.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.445 HG21 ' CE3' ' A' ' 37' ' ' TRP . 53.6 t -82.93 134.94 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.588 ' HD2' HD11 ' A' ' 100' ' ' ILE . 8.0 ttmm -123.48 129.04 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -99.34 110.27 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.639 HD13 ' CD ' ' A' ' 49' ' ' GLU . 4.5 mp -100.49 145.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' A' ' 103' ' ' ALA . 29.9 p-10 -154.53 179.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -54.08 -34.2 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.789 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -71.58 -57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.13 -130.39 1.36 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 p -154.98 151.15 28.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -135.06 110.84 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -81.86 134.1 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -88.06 179.08 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.11 149.91 89.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.68 132.98 24.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -120.29 109.87 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -88.05 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.3 mt -134.16 155.0 50.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HG3' ' NH1' ' A' ' 92' ' ' ARG . 30.9 mtpt -114.12 124.8 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.831 HG23 HD11 ' A' ' 33' ' ' ILE . 10.9 p -79.91 161.98 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 117' ' ' SER . 92.7 m-20 -66.96 126.47 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 116' ' ' ASN . 8.1 m -32.87 -71.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.471 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 5.2 tt0 -135.2 140.61 35.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.724 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.535 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.76 -1.09 7.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.643 2.228 . . . . 0.0 112.394 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.42 134.01 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -67.91 117.19 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 123' ' ' GLY . 72.9 p -145.2 138.07 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 122' ' ' SER . . . -34.39 147.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.76 21.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.616 2.211 . . . . 0.0 112.355 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 t -164.5 160.45 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.3 p -89.81 -48.04 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -124.82 105.42 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -91.83 42.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.81 -160.56 2.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -169.47 150.49 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -173.95 118.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' CD ' ' A' ' 8' ' ' GLU . . . 116.95 44.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.539 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' CD ' ' C ' ' A' ' 7' ' ' GLY . 23.4 mp0 -136.49 121.51 18.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.7 80.84 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -138.13 116.98 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.93 -38.04 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.66 142.91 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.738 HD23 ' HB2' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -133.91 4.61 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.521 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -32.4 -54.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -144.52 161.07 45.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 141.46 45.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -69.93 139.9 88.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 174.91 8.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -126.6 112.29 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.3 mt -77.32 98.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -71.31 125.46 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.82 -30.32 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.94 -24.27 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.55 -29.51 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.79 140.4 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 33' ' ' ILE . 29.1 p -123.84 159.23 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -126.08 146.79 49.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.3 m -138.34 167.31 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.505 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 1.1 p80 -33.75 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -117.53 29.35 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.6 OUTLIER -147.57 154.83 41.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 27' ' ' THR . 70.6 mt -153.3 137.8 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -114.15 109.28 18.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.19 129.22 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -108.08 119.99 41.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.8 p90 -112.49 136.82 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -116.03 138.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -71.29 -28.67 64.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.5 118.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.71 22.28 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.37 -42.34 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -72.2 -42.74 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.465 HD13 ' HB1' ' A' ' 99' ' ' ALA . 61.3 mt -53.31 116.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -67.01 -43.26 83.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.7 p -160.71 155.13 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 8.8 m-85 -101.71 156.43 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.633 ' HG2' HG23 ' A' ' 73' ' ' ILE . 7.2 tt0 -122.51 121.3 36.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -93.43 119.36 32.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -117.81 113.73 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 72' ' ' MET . 4.0 p90 -134.58 158.61 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.473 HG21 ' CE2' ' A' ' 71' ' ' TRP . 13.4 t -162.67 147.6 12.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.489 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 56.3 mt -70.43 120.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 94' ' ' ILE . 27.5 t80 -102.85 113.18 26.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.443 HG23 HG22 ' A' ' 54' ' ' ILE . 81.1 p -119.55 -175.78 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.84 99.0 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.511 HE22 HD13 ' A' ' 64' ' ' LEU . 44.8 mt-30 -120.24 147.93 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.92 -46.75 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.43 134.99 16.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -44.87 -41.56 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASN . 46.5 mm -49.77 -57.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 62' ' ' ILE . 4.8 m -36.36 -54.35 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.511 HD13 HE22 ' A' ' 58' ' ' GLN . 11.0 tp -67.45 -57.57 6.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.676 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.9 t80 -55.46 -15.74 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' ILE . 10.7 t-20 -62.99 -44.07 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 m -100.7 62.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 65' ' ' TYR . 24.2 t -60.74 -32.47 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -45.12 -21.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 68' ' ' VAL . 69.1 m -82.79 -36.19 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 11.7 m95 -39.38 150.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.549 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 8.6 mtm -87.04 127.3 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.633 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -119.01 139.74 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.553 ' O ' HD11 ' A' ' 77' ' ' ILE . 72.3 t -134.95 89.78 23.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 111.186 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 9.0 m120 62.86 47.26 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.553 HD11 ' O ' ' A' ' 74' ' ' VAL . 41.8 mt -110.17 125.03 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -135.06 41.69 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.494 ' CD ' HG23 ' A' ' 77' ' ' ILE . 20.2 pm0 -134.78 -179.74 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -108.73 14.64 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -172.7 121.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.5 t80 -115.89 117.51 30.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.2 m -79.2 111.02 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.02 123.52 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.75 143.94 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.55 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.3 mt -106.1 179.29 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.15 158.6 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.6 p -90.06 149.49 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.19 45.64 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.5 m -135.91 141.55 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -71.92 136.26 46.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.489 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.7 m-85 -136.05 114.68 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 55' ' ' PHE . 79.5 mt -91.51 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 97.5 m-85 -123.66 143.23 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.649 HD11 ' HB3' ' A' ' 110' ' ' PRO . 57.1 mt -145.62 110.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -82.72 136.31 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 98' ' ' LYS . 1.8 ttmp? -125.55 114.81 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.465 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -82.74 131.29 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -124.19 140.06 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.532 HD21 ' HB3' ' A' ' 103' ' ' ALA . 20.2 p-10 -152.75 -179.6 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -52.8 -33.86 50.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.738 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -68.81 -71.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.29 -138.54 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.7 p -150.15 141.82 23.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.88 147.49 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -114.36 129.31 56.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.71 167.87 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -68.39 149.7 97.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.649 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.74 126.45 13.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -108.18 110.44 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -74.42 120.89 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 95' ' ' PHE . 91.7 mt -128.55 161.25 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 11.1 mtpt -141.22 148.76 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.781 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 44.2 p -78.68 177.94 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.93 -73.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 42.5 t -171.52 159.84 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.408 ' OE1' ' HD2' ' A' ' 119' ' ' PRO . 3.1 tp60 -74.55 136.32 74.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.1 154.73 37.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -104.98 130.5 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -164.5 155.04 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.16 -142.87 17.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.21 27.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -40.63 -57.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.8 p -66.64 93.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -83.1 -47.57 11.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p 39.99 42.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.9 75.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -125.68 43.31 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 m -112.48 144.0 42.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.68 66.32 0.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 14.8 pt-20 -46.69 171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.16 125.95 8.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' HG3' ' A' ' 8' ' ' GLU . 3.2 mm? -108.5 -52.65 2.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.821 0.343 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 58.87 25.66 13.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -95.08 134.45 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ALA . 18.2 tp -126.06 -7.82 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.632 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -35.54 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.44 151.19 39.38 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HB3' ' CG ' ' A' ' 101' ' ' ASN . 53.3 Cg_endo -69.81 126.74 13.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.97 132.53 39.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.18 13.03 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.56 30.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.9 m -124.03 110.01 14.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.0 mt -72.07 119.73 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -91.37 108.04 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -71.87 -34.22 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.19 -32.1 73.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.04 -26.0 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.43 162.68 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -146.76 142.09 27.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.79 139.07 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 30' ' ' HIS . 14.4 m -131.7 162.25 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.4 p-80 -34.02 -67.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.504 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 5.6 m-20 -124.72 29.94 6.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.08 149.58 33.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 115' ' ' THR . 76.9 mt -149.67 133.23 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -115.86 118.88 34.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.598 HG21 ' CG ' ' A' ' 95' ' ' PHE . 48.0 t -101.5 133.7 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -111.87 122.78 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.528 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.5 p90 -113.37 135.81 53.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 20' ' ' SER . 3.1 tp -106.16 131.76 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -138.62 143.83 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -86.3 -42.79 13.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -115.45 85.44 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -110.31 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.89 -38.14 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -75.54 -41.47 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.586 HD13 ' HB1' ' A' ' 99' ' ' ALA . 70.2 mt -49.48 112.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -58.79 -43.41 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.2 p -163.92 159.14 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 8.1 m-85 -103.83 154.55 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.31 131.34 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 12.7 tp -101.81 145.53 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.13 115.59 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 37.7 p90 -130.13 146.19 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 7.1 t -152.07 142.54 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.535 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 69.5 mt -66.76 120.59 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 94' ' ' ILE . 2.0 t80 -97.79 127.33 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -136.63 -178.48 5.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.8 83.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -107.57 161.86 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.936 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.68 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -175.01 164.52 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.98 -43.07 91.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.482 HG22 ' ND2' ' A' ' 66' ' ' ASN . 25.2 mm -50.0 -46.1 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -51.52 -52.06 50.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -70.36 -64.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -43.42 -27.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.482 ' ND2' HG22 ' A' ' 62' ' ' ILE . 24.2 m-20 -62.03 -46.83 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.6 m -87.19 44.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.569 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 1.4 p -49.57 -19.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.84 -23.15 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -87.36 -33.16 19.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 53' ' ' THR . 16.2 m95 -46.92 140.22 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -87.8 146.05 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.59 143.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.684 HG11 ' CE2' ' A' ' 82' ' ' TYR . 96.9 t -133.98 94.27 18.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.449 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 53.8 Cg_endo -69.79 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.7 p-10 47.09 53.13 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 74' ' ' VAL . 14.2 mt -107.83 107.62 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -114.39 43.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -140.0 165.61 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.467 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 9.6 m-20 -93.29 13.07 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -173.08 125.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.684 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.6 t80 -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -88.92 105.86 18.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 65.2 t -81.79 123.36 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -108.6 151.78 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.77 33.81 9.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 HD12 ' A' ' 33' ' ' ILE . 64.2 mt -91.26 -175.58 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -109.24 136.91 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.93 149.1 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.59 63.72 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.5 m -154.26 142.37 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.554 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 15.3 mtt180 -71.75 136.76 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.535 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 15.1 m-85 -137.77 119.85 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.613 HD11 ' HD2' ' A' ' 55' ' ' PHE . 71.2 mt -93.54 132.55 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CG ' HG21 ' A' ' 35' ' ' VAL . 96.5 m-85 -119.46 130.9 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.3 mt -132.03 111.11 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.528 HG21 ' CE3' ' A' ' 37' ' ' TRP . 59.5 t -85.55 127.08 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -118.71 115.17 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.586 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -84.77 134.67 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.2 mt -119.04 125.92 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 27.6 p-10 -137.94 -174.97 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -35.19 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -67.8 -56.2 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.93 -137.03 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 p -140.86 141.12 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -125.74 127.42 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.63 130.73 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -84.24 178.81 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -71.48 148.16 93.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.73 5.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.7 m -108.18 110.29 21.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.429 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -89.84 133.89 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.583 HD12 ' CD1' ' A' ' 95' ' ' PHE . 14.6 mt -129.96 174.42 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -140.73 139.65 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.786 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 50.2 p -89.26 -179.67 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -101.17 165.52 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 m -47.82 175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -75.05 154.35 86.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.6 8.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.83 131.1 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -99.62 142.23 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 t -129.9 101.11 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.07 -177.57 31.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.84 29.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.745 2.297 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -53.63 129.5 33.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.9 p -146.39 139.51 25.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -83.94 126.01 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -88.36 -49.43 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 85.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -46.42 104.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -93.16 -51.88 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.16 142.53 10.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mp0 -95.06 -43.42 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.8 -39.51 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.68 133.01 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.39 33.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -86.39 59.82 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 2.1 tt 44.94 41.6 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -35.85 -47.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -166.14 162.09 12.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.5 Cg_endo -69.8 147.58 62.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.28 142.49 81.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 120.9 7.6 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 144.98 55.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.16 117.42 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -82.37 103.73 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -74.47 125.41 28.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -87.75 -18.9 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.92 -23.29 39.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.59 -30.07 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.0 p -64.23 145.48 55.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 33' ' ' ILE . 69.6 p -121.58 151.59 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -122.88 138.0 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.9 t -134.9 163.92 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.9 p-80 -42.82 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.2 m-20 -120.15 35.15 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.586 HG21 ' CE1' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -160.63 147.41 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.778 HD11 HG23 ' A' ' 115' ' ' THR . 78.1 mt -149.66 133.77 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -109.47 118.5 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG21 ' CG ' ' A' ' 95' ' ' PHE . 48.1 t -104.2 129.13 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -109.27 126.29 53.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -116.24 130.94 57.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -104.95 132.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -139.01 143.22 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.46 -37.11 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.09 93.83 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -122.86 21.1 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.17 -26.08 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 m -87.23 -44.14 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.529 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.4 mt -43.24 121.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -66.68 -45.61 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 p -159.89 156.43 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 9.1 m-85 -103.17 151.63 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.709 ' HG3' HG23 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -123.61 129.15 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 82' ' ' TYR . 15.2 tp -104.9 119.86 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -114.79 120.34 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -134.98 146.69 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.468 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 7.2 t -158.48 148.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.56 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 94' ' ' ILE . 54.4 t80 -110.18 119.84 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.1 p -126.68 -177.04 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.71 63.28 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -103.93 176.14 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -46.59 169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' ALA . 3.2 m120 -35.41 149.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -53.75 -48.41 69.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.8 mm -41.89 -46.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.0 m -44.12 -70.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 tp -57.93 -52.49 65.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -48.64 -32.16 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.23 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -89.49 45.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 1.4 p -56.34 -13.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.12 -8.05 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' TRP . 4.8 t -104.94 -39.38 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.502 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 14.9 m95 -35.76 150.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.465 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.4 mpp? -85.99 153.08 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.709 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.3 mp -146.2 141.77 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.688 ' O ' HD11 ' A' ' 77' ' ' ILE . 78.6 t -131.92 93.56 26.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.73 -170.32 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 60.9 36.69 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.688 HD11 ' O ' ' A' ' 74' ' ' VAL . 20.8 mt -99.42 104.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -117.65 37.16 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -132.79 178.22 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -102.55 12.54 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -172.13 125.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 7.7 t80 -115.71 124.72 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -84.39 107.5 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.672 HG21 ' HE2' ' A' ' 95' ' ' PHE . 58.6 t -80.77 109.61 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.586 ' CE1' HG21 ' A' ' 32' ' ' THR . 17.8 m80 -100.79 140.58 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.51 41.98 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.563 HD13 HD12 ' A' ' 33' ' ' ILE . 42.9 mt -107.03 -175.51 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -112.36 140.23 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.2 p -67.31 146.43 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.74 54.05 9.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -139.73 140.72 36.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 0.0 111.135 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -72.13 145.46 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.506 ' CE1' HD22 ' A' ' 87' ' ' LEU . 23.8 m-85 -149.14 122.24 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 55' ' ' PHE . 59.5 mt -95.65 127.63 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.672 ' HE2' HG21 ' A' ' 84' ' ' VAL . 84.6 m-85 -113.87 140.21 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 110' ' ' PRO . 63.2 mt -142.39 105.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.2 t -83.49 129.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -122.51 122.91 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.529 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -90.71 125.02 35.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 5.1 mp -113.74 141.02 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.483 ' ND2' HD21 ' A' ' 13' ' ' LEU . 48.6 p-10 -148.89 -175.02 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.66 -70.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.63 -135.19 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.9 145.8 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -132.16 120.32 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -91.83 132.01 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 t -81.38 171.66 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.03 151.2 95.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.492 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.76 114.87 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.246 . . . . 0.0 112.369 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -99.53 102.56 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -75.18 126.53 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.416 HD12 ' CD1' ' A' ' 95' ' ' PHE . 83.9 mt -123.01 161.32 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -136.44 129.65 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.778 HG23 HD11 ' A' ' 33' ' ' ILE . 39.4 p -78.99 169.09 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 117' ' ' SER . 25.4 p30 -81.16 138.27 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 116' ' ' ASN . 3.0 m -33.48 -64.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.72 163.14 52.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.51 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.76 -175.15 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.745 2.297 . . . . 0.0 112.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 120' ' ' PHE . 1.2 t80 -63.11 131.36 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.4 137.04 42.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 63.8 p -59.48 150.22 27.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.16 -153.2 7.81 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -172.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.2 t -172.9 156.82 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.2 p -115.04 6.4 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -41.19 152.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -154.01 155.94 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.46 75.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -74.5 -52.57 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -61.48 -47.28 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.11 -54.33 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 9' ' ' GLY . 1.1 pm0 -113.67 -41.87 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' N ' ' HG2' ' A' ' 8' ' ' GLU . . . 135.45 -137.03 8.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.1 pp -141.61 147.05 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.23 -38.31 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.462 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 1.2 p90 -44.08 150.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 103' ' ' ALA . 2.7 tm? -128.06 -31.16 2.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.869 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -25.01 -45.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -121.86 145.41 43.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 145.54 57.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.06 128.44 87.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 121.29 8.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.03 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.91 108.31 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.499 HD11 ' H ' ' A' ' 97' ' ' VAL . 54.4 mt -74.9 115.6 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HG3' HD12 ' A' ' 25' ' ' LEU . 11.4 mmm180 -79.31 122.89 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 8.3 pm0 -79.0 -20.66 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' HG3' ' A' ' 22' ' ' ARG . 66.9 mt -96.77 -29.68 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 p -68.81 136.94 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p -111.76 161.94 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -128.21 136.33 50.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.475 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.6 t -131.85 164.18 26.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 15.9 p-80 -48.6 -61.19 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 87' ' ' LEU . 26.0 t70 -119.72 28.25 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.423 HG21 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -154.43 152.67 30.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.788 HD11 ' CG2' ' A' ' 115' ' ' THR . 34.4 mt -154.96 127.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -105.95 119.22 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.886 HG21 ' CD2' ' A' ' 95' ' ' PHE . 92.2 t -106.94 120.26 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -100.37 124.32 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -118.95 132.16 56.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 20' ' ' SER . 3.2 tp -100.8 141.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 38' ' ' ILE . 57.1 p -135.67 142.22 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -91.82 -4.53 54.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -173.99 125.76 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.91 3.55 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.78 -31.85 66.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 t -85.61 -33.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.56 HD13 ' HB1' ' A' ' 99' ' ' ALA . 89.7 mt -65.55 113.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -29.29 68.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -173.04 157.01 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.2 m-85 -100.81 155.14 18.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -129.38 131.11 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -102.59 149.4 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -144.6 114.49 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 11.5 p90 -128.98 148.7 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -157.28 142.47 17.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 49.3 mt -67.59 124.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 94' ' ' ILE . 38.2 t80 -108.28 107.14 17.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -133.19 80.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.29 150.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -175.18 145.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.07 83.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' PHE . 2.7 t-20 -149.79 111.96 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.6 t80 -34.98 -52.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.2 mm -40.83 -54.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.5 m -38.75 -61.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.55 -58.86 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -47.33 -20.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.57 -43.2 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.28 64.67 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 21.4 m -62.0 -12.44 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.25 -28.88 68.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t -81.9 -29.05 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 16.6 m95 -54.05 163.4 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 12.7 mtm -108.36 126.94 53.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.5 mp -117.96 143.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.726 HG11 ' CE2' ' A' ' 82' ' ' TYR . 48.2 t -131.7 94.11 26.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 62.13 50.39 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.779 HG23 ' NE2' ' A' ' 79' ' ' GLN . 3.8 mt -109.96 106.25 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.14 38.39 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.779 ' NE2' HG23 ' A' ' 77' ' ' ILE . 14.9 pm0 -133.97 -178.54 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -107.21 12.87 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -172.53 122.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.726 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.5 t80 -113.4 119.59 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.433 HG22 ' CD2' ' A' ' 85' ' ' HIS . 40.4 m -81.21 110.39 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 109.47 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.433 ' CD2' HG22 ' A' ' 83' ' ' THR . 29.1 m-70 -96.49 149.3 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.49 38.29 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 93' ' ' TYR . 13.9 mt -103.44 174.79 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.49 147.01 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -81.56 143.42 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.8 48.54 61.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.0 m -140.55 144.26 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -72.3 147.08 46.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.541 ' CE2' HD22 ' A' ' 87' ' ' LEU . 16.3 m-85 -146.7 120.59 9.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.525 HD11 ' CD2' ' A' ' 55' ' ' PHE . 91.3 mt -91.8 133.36 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.886 ' CD2' HG21 ' A' ' 35' ' ' VAL . 41.5 m-85 -120.81 132.17 54.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 110' ' ' PRO . 62.9 mt -137.39 105.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.499 ' H ' HD11 ' A' ' 21' ' ' ILE . 62.8 t -83.19 137.81 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -126.81 123.19 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -93.3 126.87 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -113.08 130.69 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -136.91 -177.95 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.28 -33.66 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.869 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -70.94 -72.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.2 -143.09 3.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -134.84 145.62 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -131.65 108.79 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -83.79 127.99 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -78.09 177.37 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.74 151.27 84.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.605 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.77 119.53 6.46 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.0 m -101.73 110.44 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -73.45 136.2 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.678 HD12 ' CD1' ' A' ' 95' ' ' PHE . 95.9 mt -140.11 154.2 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -130.55 135.12 47.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.788 ' CG2' HD11 ' A' ' 33' ' ' ILE . 22.2 p -84.07 172.94 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 26.4 p30 -86.07 145.8 26.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -40.48 -68.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -135.17 162.6 56.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.493 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.73 -177.67 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.29 108.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -82.7 122.23 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 m -53.08 118.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.55 114.15 6.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -5.57 16.49 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.3 p -65.71 116.89 7.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.7 m -57.87 -57.72 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -138.0 114.87 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -128.31 140.17 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -172.42 20.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m 39.26 40.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -72.61 -54.08 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.02 64.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -159.92 149.91 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.388 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.03 -89.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.34 150.63 50.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.63 44.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.23 166.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 13' ' ' LEU . 2.0 tm? -99.95 -40.66 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.616 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 15.3 t -31.58 -36.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -142.86 137.82 15.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 142.01 46.56 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -62.66 138.08 96.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.26 13.07 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.22 61.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.8 m -110.79 104.22 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.42 HG23 ' CG1' ' A' ' 35' ' ' VAL . 22.2 mt -70.05 105.51 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.546 ' HG3' HD12 ' A' ' 25' ' ' LEU . 25.8 mmm-85 -74.97 121.99 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -87.45 -14.31 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.62 -26.68 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 22' ' ' ARG . 28.8 mt -90.86 -27.01 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 p -65.08 148.62 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -122.02 149.9 42.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -122.09 132.41 54.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -131.47 165.37 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.5 p-80 -39.87 -68.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 82.0 m-20 -120.45 35.49 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.442 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -154.81 148.38 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.911 HD11 HG23 ' A' ' 115' ' ' THR . 91.3 mt -151.0 137.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.1 m -117.32 118.93 33.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.763 HG21 ' CD2' ' A' ' 95' ' ' PHE . 97.3 t -105.39 127.93 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.72 126.8 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CE3' HG21 ' A' ' 97' ' ' VAL . 18.9 p90 -117.38 132.51 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.3 tp -110.96 136.43 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 p -132.5 156.26 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.35 -35.13 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.33 115.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -103.03 13.14 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.06 -22.67 59.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.61 -39.62 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.561 HD13 ' HB1' ' A' ' 99' ' ' ALA . 62.7 mt -60.24 136.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.35 -39.9 18.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.5 p -158.71 158.42 33.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' OH ' HD12 ' A' ' 45' ' ' ILE . 10.2 m-85 -109.66 163.45 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.13 135.76 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 84' ' ' VAL . 14.9 tp -109.3 124.4 50.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 72' ' ' MET . 25.2 p90 -130.73 145.45 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.449 HG21 ' CE2' ' A' ' 71' ' ' TRP . 5.7 t -155.83 145.21 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 28.6 mt -72.73 125.07 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CD2' HD11 ' A' ' 94' ' ' ILE . 30.7 t80 -108.21 114.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.1 p -120.14 -66.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.1 38.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -50.39 72.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -173.18 -177.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -44.3 167.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -70.76 -67.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.6 mm -42.07 -55.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 3.8 p -38.16 -58.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' ASN . 5.6 tp -71.72 -63.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -40.0 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' LEU . 12.1 t-20 -66.47 -53.86 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.8 m -62.89 -34.03 76.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 68' ' ' VAL . 1.4 p 32.02 35.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 67' ' ' SER . 1.7 p30 -88.26 -50.4 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' TRP . 13.6 m -66.88 -38.11 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.49 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 38.9 m95 -37.21 143.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mpp? -100.2 143.05 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.8 mp -130.92 142.97 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' HD11 ' A' ' 77' ' ' ILE . 76.0 t -132.58 92.58 26.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 62.85 53.6 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.652 HD11 ' O ' ' A' ' 74' ' ' VAL . 25.5 mt -113.66 104.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -113.26 40.17 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.7 172.72 12.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -98.27 10.29 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -171.05 126.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.8 t80 -116.3 125.52 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -86.77 106.57 17.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.402 ' CG2' HD21 ' A' ' 50' ' ' LEU . 57.4 t -80.64 111.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -97.87 147.22 24.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.65 42.8 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 93' ' ' TYR . 17.0 mt -104.95 -178.59 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -106.86 142.06 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.66 136.27 35.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.32 46.25 87.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.9 m -141.77 146.4 35.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -73.61 133.95 43.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.528 ' CE2' HD22 ' A' ' 87' ' ' LEU . 12.2 m-85 -134.71 119.01 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 55' ' ' PHE . 30.5 mt -90.78 138.51 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.763 ' CD2' HG21 ' A' ' 35' ' ' VAL . 71.1 m-85 -123.97 137.78 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 110' ' ' PRO . 39.2 mt -143.96 107.13 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.493 HG21 ' CE3' ' A' ' 37' ' ' TRP . 74.2 t -83.73 140.91 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.538 ' O ' HD12 ' A' ' 100' ' ' ILE . 12.2 ttmt -127.05 118.8 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.561 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -87.71 110.74 20.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.2 mp -103.66 141.16 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -150.25 179.34 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -54.86 -26.6 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.616 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -78.77 -70.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.43 -137.07 2.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 p -147.11 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -131.96 111.1 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.25 126.41 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.2 t -78.82 178.56 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.35 150.84 82.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.486 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 116.45 4.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 96.1 m -97.85 106.51 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -75.9 122.41 24.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 95' ' ' PHE . 87.3 mt -125.7 160.99 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -135.09 131.56 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.911 HG23 HD11 ' A' ' 33' ' ' ILE . 13.0 p -82.32 172.74 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' SER . 8.4 p30 -90.44 139.47 30.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASN . 38.3 p -36.7 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.86 161.15 65.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.407 ' HB3' ' ND1' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.79 -0.65 7.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -62.92 153.49 33.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -107.11 109.8 21.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.4 t -113.13 146.01 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 118.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 120.08 6.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 144.24 30.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -160.57 176.46 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -106.18 -60.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -145.41 166.52 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.52 107.04 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -125.83 82.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -128.28 91.71 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.18 66.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.8 112.94 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.54 -78.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.65 118.25 25.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.85 41.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -107.99 136.49 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.744 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.4 tt -130.71 -5.26 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.685 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 1.8 t -32.88 -45.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' HH21 ' A' ' 106' ' ' ARG . . . -136.5 142.46 39.4 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 111.082 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.0 137.13 26.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.82 16.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.45 24.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -125.53 107.34 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.98 119.96 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -93.07 122.06 35.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.64 -33.72 25.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.86 -25.18 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -94.34 -27.08 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -71.65 144.43 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 33' ' ' ILE . 68.3 p -120.48 158.52 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -124.73 138.41 54.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 5.3 t -133.82 160.8 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 6.5 p-80 -37.91 -68.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 27.0 m-20 -120.03 38.03 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.599 ' CA ' HD12 ' A' ' 87' ' ' LEU . 4.7 m -160.41 155.16 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 115' ' ' THR . 87.1 mt -153.2 137.96 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -115.12 104.74 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.64 128.72 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.5 124.19 50.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.6 p90 -116.55 136.78 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 tp -108.01 132.56 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -128.86 139.34 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.64 -27.8 45.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -142.11 106.7 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.82 22.54 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.63 -42.12 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -75.33 -41.73 56.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -49.37 112.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -65.37 -36.33 83.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.7 p -167.13 156.89 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -101.12 155.51 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG3' HG23 ' A' ' 73' ' ' ILE . 3.2 tp10 -129.71 134.77 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -106.95 135.82 47.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -131.32 116.49 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 27.9 p90 -140.09 146.38 38.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -154.59 139.12 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.712 HG22 HG23 ' A' ' 56' ' ' THR . 51.8 mt -59.3 107.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -66.02 105.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 HG22 ' A' ' 54' ' ' ILE . 38.9 p -127.61 -36.53 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.97 -116.53 4.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 44.02 24.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 64' ' ' LEU . . . -179.85 106.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 61' ' ' PHE . 9.3 m120 -33.37 124.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 60' ' ' ASN . 18.0 t80 -30.67 -51.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 66' ' ' ASN . 40.6 mm -58.2 -52.78 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 60' ' ' ASN . 40.2 t -59.73 -60.0 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 5.1 tp -51.23 -38.27 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -74.61 -30.16 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.41 ' OD1' ' HA ' ' A' ' 63' ' ' SER . 25.6 m120 -59.9 -57.15 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.9 m -80.27 46.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 71' ' ' TRP . 2.1 p -49.21 -17.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -43.69 -31.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' TRP . 31.3 m -79.47 -44.11 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.513 ' HB2' HG22 ' A' ' 68' ' ' VAL . 16.2 m95 -36.43 154.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 15.0 ttm -86.21 145.96 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.444 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.4 mp -144.15 138.76 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.555 ' O ' HD11 ' A' ' 77' ' ' ILE . 76.1 t -128.72 96.32 30.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.76 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 63.7 54.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 74' ' ' VAL . 59.0 mt -113.7 110.62 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -122.3 42.97 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 82' ' ' TYR . 13.1 pt20 -141.45 163.81 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.81 13.44 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -171.59 122.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.2 t80 -115.5 126.54 54.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.406 HG11 ' CE2' ' A' ' 52' ' ' TYR . 57.4 t -91.13 111.95 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -95.31 149.57 21.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.91 5.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.599 HD12 ' CA ' ' A' ' 32' ' ' THR . 45.6 mt -100.55 -174.88 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -110.1 136.06 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 117' ' ' SER . 3.3 m -73.21 134.46 44.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.23 60.35 8.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -151.64 144.6 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 111.157 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -71.86 146.69 47.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.54 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 8.8 m-85 -147.17 116.67 7.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.2 mt -91.58 118.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' A' ' 113' ' ' LEU . 75.0 m-85 -107.83 139.96 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 110' ' ' PRO . 21.3 mt -144.11 105.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.52 136.49 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' HE3' HD11 ' A' ' 100' ' ' ILE . 28.9 ttpt -132.05 113.48 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.49 144.95 41.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.414 HD11 ' HE3' ' A' ' 98' ' ' LYS . 17.8 mt -131.8 135.18 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -146.01 167.48 23.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -42.08 -38.88 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -65.65 -71.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.01 -135.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 m -155.43 152.09 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.569 HH21 ' HB3' ' A' ' 15' ' ' ALA . 5.5 tpp180 -135.15 125.89 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -95.08 134.83 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -85.71 177.11 7.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.01 151.45 86.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.1 Cg_endo -69.75 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.8 m -105.49 107.41 18.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -73.91 120.13 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' A' ' 95' ' ' PHE . 31.0 mt -127.98 160.99 30.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -135.6 150.06 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.725 HG23 HD11 ' A' ' 33' ' ' ILE . 24.1 p -95.59 167.59 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -74.28 163.18 28.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 89' ' ' SER . 7.0 t -58.01 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -136.09 158.42 73.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.82 -62.3 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.304 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.41 ' H ' ' HG2' ' A' ' 119' ' ' PRO . 9.9 m-85 -123.1 158.56 30.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.1 tmtt? -119.48 110.81 17.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 121' ' ' LYS . 6.1 m -34.31 141.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.839 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.92 118.47 3.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.45 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 5.57 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -137.35 167.58 21.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -110.09 97.06 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -53.88 -48.11 70.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -118.61 42.42 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.32 -63.34 2.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -125.29 146.33 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -108.81 119.96 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 -153.43 16.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -98.64 172.46 7.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.07 -129.96 2.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mt -146.23 143.76 29.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -118.28 -9.78 10.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.613 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.42 -167.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.613 ' N ' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tt -73.0 45.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -57.02 -24.74 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -172.66 161.03 3.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.523 0.677 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.76 147.47 62.91 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.33 137.48 93.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 124.97 11.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.585 ' HG3' HG12 ' A' ' 97' ' ' VAL . 54.2 Cg_endo -69.78 150.78 68.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.381 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.9 m -105.74 104.87 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.49 HD11 ' H ' ' A' ' 97' ' ' VAL . 64.4 mt -71.68 106.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -76.96 104.33 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' CG ' HG23 ' A' ' 111' ' ' THR . 59.5 mt-10 -69.66 -35.25 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.28 -35.86 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 mt -84.82 -23.61 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 m -57.92 159.55 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.8 p -142.94 140.65 31.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.827 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.16 138.63 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -129.63 164.35 24.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.498 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 24.4 p-80 -44.65 -58.31 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' CD2' ' A' ' 30' ' ' HIS . 31.9 p30 -127.15 35.12 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.422 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -157.91 153.78 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.864 HD11 HG23 ' A' ' 115' ' ' THR . 66.1 mt -152.98 129.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -113.18 118.78 35.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 ' CG ' ' A' ' 95' ' ' PHE . 53.1 t -101.39 136.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -113.93 123.47 49.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 27.3 p90 -118.99 133.74 55.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.2 tp -109.39 135.26 48.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -138.67 143.39 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -84.97 -41.2 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.98 94.09 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 21.06 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.88 -30.38 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -81.68 -41.02 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.548 HD13 ' HB1' ' A' ' 99' ' ' ALA . 74.6 mt -46.84 113.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 t -63.56 -31.72 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.3 p -172.31 158.67 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.27 163.78 12.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' CD ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -140.34 125.8 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 13.5 tp -101.62 118.21 36.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' CG ' ' OE1' ' A' ' 49' ' ' GLU . 69.2 mt-30 -111.91 114.0 26.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.499 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 10.2 p90 -128.86 158.1 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.665 HG21 ' CE2' ' A' ' 71' ' ' TRP . 13.3 t -162.49 146.99 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.633 HG22 HG22 ' A' ' 56' ' ' THR . 37.1 mt -72.02 120.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CZ ' ' NH2' ' A' ' 112' ' ' ARG . 49.6 t80 -97.26 105.15 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 54' ' ' ILE . 1.1 t -149.2 152.8 36.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 34.41 80.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -147.15 109.0 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.934 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.08 73.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.2 p-10 -147.82 129.02 14.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 37.2 t80 -37.12 -50.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.4 mm -39.13 -61.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -42.72 -43.99 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.93 -64.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.822 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.7 t80 -46.92 -20.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -60.02 -54.83 41.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -88.5 48.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 65' ' ' TYR . 2.2 t -50.94 -23.0 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.95 -17.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -87.98 -36.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.665 ' CE2' HG21 ' A' ' 53' ' ' THR . 12.1 m95 -39.28 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.45 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.5 mpp? -96.07 155.56 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.641 HG23 ' CD ' ' A' ' 49' ' ' GLU . 5.3 mp -141.52 138.31 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.466 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 86.0 t -134.35 92.33 20.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.647 2.232 . . . . 0.0 112.394 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 63.39 46.53 4.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 74' ' ' VAL . 15.3 mt -109.44 100.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -110.26 37.38 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -133.38 174.85 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.436 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.7 m120 -96.47 -2.5 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -158.72 122.29 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 23.1 t80 -115.05 124.8 52.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -87.46 118.43 26.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.8 t -92.16 119.54 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -104.66 145.32 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.48 45.85 2.26 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 ' CE1' ' A' ' 93' ' ' TYR . 13.6 mt -111.19 177.28 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -103.32 140.56 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.59 144.49 37.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.89 43.37 99.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -141.53 144.58 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -71.77 150.01 44.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.609 ' CE1' HD22 ' A' ' 87' ' ' LEU . 13.3 m-85 -149.48 115.9 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 79.2 mt -90.35 143.91 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.794 ' CD2' HD12 ' A' ' 113' ' ' LEU . 97.6 m-85 -131.49 142.16 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.848 HG21 ' OD1' ' A' ' 107' ' ' ASN . 86.0 mt -145.11 108.77 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 19' ' ' PRO . 97.1 t -83.46 121.46 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -117.09 110.71 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.548 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -76.79 135.8 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -119.04 134.49 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 42.3 p30 -140.69 -175.36 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 102' ' ' GLN . 18.8 tp60 -57.76 -35.53 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 101' ' ' ASN . . . -69.58 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.23 -134.01 1.61 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 93.2 p -142.47 149.82 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -129.74 107.18 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.848 ' OD1' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -83.21 131.97 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.5 p -85.34 178.38 7.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.75 150.98 86.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.505 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.1 Cg_endo -69.81 116.74 4.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.53 HG23 ' CG ' ' A' ' 23' ' ' GLU . 52.0 m -96.41 107.71 20.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' NH2' ' CZ ' ' A' ' 55' ' ' PHE . 10.3 mmt85 -73.51 126.47 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.794 HD12 ' CD2' ' A' ' 95' ' ' PHE . 71.1 mt -135.93 146.97 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 17.1 mtpt -120.69 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.864 HG23 HD11 ' A' ' 33' ' ' ILE . 20.0 p -82.93 158.16 22.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 24.1 m-80 -66.01 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 116' ' ' ASN . 34.4 t -33.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.48 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 14.6 tt0 -134.98 139.82 33.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.498 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.75 -177.16 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.01 141.69 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.26 125.3 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 p -74.14 114.07 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.39 -151.88 23.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.12 2.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 t -40.62 -42.49 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.5 p -159.6 144.88 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.596 0.712 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.93 26.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -54.34 139.45 56.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 127.73 15.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 160.12 50.87 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.493 ' HB2' HG23 ' A' ' 38' ' ' ILE . 3.1 m -113.48 101.04 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.417 HD11 ' H ' ' A' ' 97' ' ' VAL . 93.2 mt -70.8 103.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -76.37 124.79 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.85 -23.18 24.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.92 -25.9 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 mt -91.73 -28.89 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.6 p -65.56 145.53 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 33' ' ' ILE . 81.7 p -121.69 156.56 32.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -126.37 126.29 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' HIS . 2.9 t -122.42 166.46 14.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.511 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.2 p-80 -34.66 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.511 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 11.3 p30 -121.06 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 HG21 ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -153.71 136.55 15.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 115' ' ' THR . 71.7 mt -132.25 135.49 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -111.43 102.66 11.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -89.07 137.35 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -115.54 127.41 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.457 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 26.2 p90 -120.86 123.61 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.7 tp -101.42 136.04 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -135.22 151.18 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -91.61 -38.43 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.74 99.89 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.36 19.76 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.93 -40.56 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 -39.04 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 100' ' ' ILE . 60.3 mt -52.73 114.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -76.36 -26.36 55.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.1 p -171.51 152.4 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.9 156.44 17.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' CG ' HG23 ' A' ' 73' ' ' ILE . 28.7 tt0 -129.81 130.45 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 tp -104.43 129.05 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -126.69 114.36 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -127.51 153.7 46.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 t -158.07 147.46 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.526 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 94.8 mt -72.77 129.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 94' ' ' ILE . 39.6 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 49' ' ' GLU . 5.3 mp -136.02 139.28 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.722 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 70.4 t -131.87 89.65 38.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 59.71 40.43 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 74' ' ' VAL . 31.1 mt -104.75 107.63 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -116.67 36.28 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 18.9 pm0 -134.7 179.12 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.457 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.6 m120 -105.04 13.55 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -167.85 118.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.722 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.1 t80 -116.0 123.65 48.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -84.09 112.63 20.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.639 HG21 ' HE2' ' A' ' 95' ' ' PHE . 90.0 t -82.47 127.92 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CE1' HG21 ' A' ' 32' ' ' THR . 18.7 m-70 -112.71 146.6 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.16 46.27 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 93' ' ' TYR . 20.5 mt -112.27 -179.68 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 110.95 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -116.22 139.49 50.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 p -61.44 140.82 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.16 61.54 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -146.93 143.28 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -73.61 146.86 44.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.526 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 13.6 m-85 -149.88 116.11 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 55' ' ' PHE . 55.1 mt -92.86 125.25 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.639 ' HE2' HG21 ' A' ' 84' ' ' VAL . 60.5 m-85 -111.34 144.72 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 mt -142.93 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.417 ' H ' HD11 ' A' ' 21' ' ' ILE . 71.4 t -86.47 121.92 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -115.03 109.17 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.58 138.21 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 45' ' ' ILE . 22.3 mt -125.9 133.51 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -137.42 -176.57 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.1 -72.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.76 -136.29 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.9 p -144.04 152.79 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -130.74 114.32 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.52 120.57 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.9 p -79.03 170.29 16.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.71 151.07 97.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.382 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.2 m -104.44 109.52 21.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.655 ' O ' HD23 ' A' ' 113' ' ' LEU . 31.7 mtm-85 -73.52 134.62 43.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' ARG . 67.3 mt -145.82 141.57 28.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -118.67 151.7 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.587 HG23 HD11 ' A' ' 33' ' ' ILE . 11.6 p -90.78 171.86 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 39.0 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.607 0.718 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 132.79 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -51.89 140.86 29.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.83 11.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.71 141.64 45.98 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.85 107.4 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.56 110.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -76.86 103.84 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.47 -36.69 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.29 -35.17 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -85.78 -22.9 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 m -57.95 157.18 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -140.85 141.87 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.893 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.5 t -131.79 161.26 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 4.4 p-80 -35.59 -70.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 33.8 p30 -118.83 28.73 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -147.03 149.0 32.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.773 HD11 ' CG2' ' A' ' 115' ' ' THR . 63.3 mt -150.93 134.01 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 m -115.42 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.635 HG21 ' CG ' ' A' ' 95' ' ' PHE . 98.4 t -105.17 120.44 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 5.8 m170 -100.78 124.15 46.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -118.46 142.02 47.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 39' ' ' SER . 3.2 tp -113.38 141.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 38' ' ' ILE . 3.3 t -138.8 155.13 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.85 -32.32 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -133.69 99.01 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -111.58 -5.67 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.03 -24.86 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -88.62 -44.34 10.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.766 HD13 ' HB1' ' A' ' 99' ' ' ALA . 42.6 mt -49.21 118.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -62.96 -41.94 99.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -165.84 159.92 16.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.68 155.71 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 73' ' ' ILE . 4.5 tp10 -132.17 125.52 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 tp -92.64 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -145.72 114.06 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 30.3 p90 -137.47 165.43 26.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -168.43 147.29 4.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.1 mt -71.25 114.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.2 mp -123.84 144.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 82' ' ' TYR . 74.8 t -132.92 93.56 23.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.82 179.81 3.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 63.77 46.98 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.556 HD11 ' O ' ' A' ' 74' ' ' VAL . 29.6 mt -107.58 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -111.41 42.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.99 170.12 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -97.24 15.39 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -172.35 120.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.1 t80 -112.34 114.97 27.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.1 m -78.7 112.55 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.64 112.46 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -100.82 143.26 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.25 40.8 3.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 93' ' ' TYR . 41.2 mt -102.46 171.57 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.66 137.45 32.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 p -71.04 147.83 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.74 56.61 6.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.1 m -146.17 151.0 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -73.76 150.07 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.568 ' CE1' HD22 ' A' ' 87' ' ' LEU . 18.2 m-85 -153.7 119.69 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 95' ' ' PHE . 64.9 mt -94.81 155.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.878 ' CD2' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -141.24 143.4 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 110' ' ' PRO . 54.5 mt -146.92 105.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.475 HG12 ' HG3' ' A' ' 19' ' ' PRO . 66.0 t -84.24 130.4 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' HD12 ' A' ' 100' ' ' ILE . 31.5 ttpt -123.06 114.48 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.89 131.3 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 98' ' ' LYS . 4.6 mp -121.06 145.28 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -151.12 -175.78 5.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.424 ' CD ' ' H ' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -58.75 -33.55 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.97 -57.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 -130.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -154.78 154.14 32.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 7.6 tpm_? -139.22 121.32 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -95.18 136.95 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -91.93 176.56 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.84 151.1 95.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.673 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 128.8 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.2 m -107.56 111.3 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -72.86 134.72 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.878 HD12 ' CD2' ' A' ' 95' ' ' PHE . 91.8 mt -141.88 140.99 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -121.73 140.66 52.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.893 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 47.4 p -86.4 175.24 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 106' ' ' ARG . 54.0 Cg_endo -69.79 123.49 10.14 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -40.42 134.32 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.6 67.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.7 m -113.15 100.0 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.44 110.67 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -78.61 120.29 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.83 -13.95 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -84.95 -25.87 27.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.12 -26.45 15.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.78 129.47 39.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -103.13 167.15 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -134.98 135.27 41.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.7 m -137.84 155.45 48.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.8 p-80 -36.12 -68.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 32' ' ' THR . 17.6 t70 -116.14 39.11 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -161.55 148.49 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 115' ' ' THR . 33.3 mt -156.73 126.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 m -105.31 119.2 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 95' ' ' PHE . 98.4 t -106.38 116.64 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -99.09 123.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.6 p90 -116.21 137.38 52.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 20' ' ' SER . 3.2 tp -114.97 133.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.4 p -134.41 150.74 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -78.32 -29.57 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.93 100.39 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.65 21.23 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -98.26 -32.95 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -78.83 -40.76 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.757 HD13 ' HB1' ' A' ' 99' ' ' ALA . 29.8 mt -49.53 120.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -69.07 -41.42 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 p -161.97 161.55 28.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.502 ' OH ' HD12 ' A' ' 45' ' ' ILE . 10.3 m-85 -109.93 146.66 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -121.73 125.15 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 82' ' ' TYR . 16.4 tp -99.1 144.28 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -143.14 115.75 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -128.83 144.49 51.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -153.22 145.78 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.0 mt -68.67 134.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 94' ' ' ILE . 42.6 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.1 mtm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.31 145.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 65.0 t -134.37 92.11 21.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.78 -177.24 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.736 2.29 . . . . 0.0 112.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.86 51.79 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.576 HD11 ' O ' ' A' ' 74' ' ' VAL . 37.6 mt -113.47 106.74 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -115.89 41.57 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -135.74 166.87 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.98 10.83 29.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -169.63 124.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 10.9 t80 -115.76 125.49 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -88.53 108.72 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.46 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -118.27 147.43 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 31' ' ' ASP . . . 94.3 46.9 2.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.593 HD22 ' CE2' ' A' ' 93' ' ' TYR . 48.6 mt -111.65 162.77 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -91.99 128.38 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.2 p -58.88 151.83 20.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.4 64.44 1.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -153.47 143.95 22.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -72.46 140.03 48.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.593 ' CE2' HD22 ' A' ' 87' ' ' LEU . 16.9 m-85 -142.4 123.13 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 55' ' ' PHE . 28.2 mt -92.95 138.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.759 ' CD1' HD12 ' A' ' 113' ' ' LEU . 87.0 m-85 -125.73 131.19 52.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 110' ' ' PRO . 49.0 mt -134.91 105.7 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.431 HG21 ' CE3' ' A' ' 37' ' ' TRP . 51.9 t -84.56 127.76 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -115.55 110.35 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.757 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.88 125.56 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.0 mt -113.74 138.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -143.62 -176.75 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.21 -31.79 65.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.6 -69.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.9 -142.18 3.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -134.18 151.03 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 16.7 tpt180 -133.92 106.73 7.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -80.89 123.89 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -79.45 178.58 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -74.66 150.55 86.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.8 Cg_endo -69.83 114.63 3.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 m -100.59 103.7 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -76.92 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.759 HD12 ' CD1' ' A' ' 95' ' ' PHE . 40.7 mt -132.06 169.08 16.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 3.0 mtpm? -135.32 137.28 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.692 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 20.1 p -85.52 179.56 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.547 0.689 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.72 16.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -52.78 133.29 47.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.83 12.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.69 30.13 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.744 2.296 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.681 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.4 m -123.2 105.48 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.63 109.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HE ' HG21 ' A' ' 38' ' ' ILE . 10.5 mmt85 -73.67 80.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 13.5 mp0 -53.38 -28.48 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -86.02 -24.87 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.2 m -51.42 144.79 9.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.8 p -130.86 139.15 50.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -115.19 136.58 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' HIS . 12.6 m -131.14 166.44 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.7 p-80 -35.81 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.501 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 54.7 p30 -121.81 38.75 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.67 148.11 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.547 HD12 HD13 ' A' ' 87' ' ' LEU . 85.5 mt -146.8 127.72 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 m -109.14 108.31 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 95' ' ' PHE . 51.2 t -94.68 127.28 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -106.81 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.461 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 24.2 p90 -115.49 142.34 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 20' ' ' SER . 2.9 tp -116.7 135.24 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 t -135.27 148.33 49.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 19.0 p-10 -79.54 -34.7 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 9.5 m-20 -143.04 105.2 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.97 22.4 12.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -82.93 -38.58 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.6 m -76.48 -41.78 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.454 HD13 ' HB1' ' A' ' 99' ' ' ALA . 60.2 mt -47.52 114.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -58.99 -35.41 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.2 p -171.57 163.27 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.71 156.93 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.08 149.12 51.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 12.5 tp -126.32 134.55 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -125.59 114.11 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -124.85 144.89 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.8 t -161.63 140.77 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.37 125.63 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.3 mtm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.83 148.03 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 77.9 t -134.43 89.99 25.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.2 47.95 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 74' ' ' VAL . 19.5 mt -114.9 114.65 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -126.77 35.3 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -128.07 177.43 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.461 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 7.3 m120 -102.7 13.85 33.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -171.6 123.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 13.6 t80 -121.14 123.18 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.1 m -83.1 113.97 20.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.5 t -88.13 129.65 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.89 150.01 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 52.19 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.721 HD22 ' CE2' ' A' ' 93' ' ' TYR . 15.4 mt -120.75 169.16 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -94.02 155.62 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 90' ' ' GLY . 86.6 p -80.11 155.33 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 89' ' ' SER . . . 35.73 60.88 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.8 m -143.59 147.25 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.18 132.08 39.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.721 ' CE2' HD22 ' A' ' 87' ' ' LEU . 11.2 m-85 -132.81 120.45 21.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.1 mt -91.57 143.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.164 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 35' ' ' VAL . 90.2 m-85 -132.97 135.91 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.808 HG21 ' ND2' ' A' ' 107' ' ' ASN . 60.7 mt -139.02 107.63 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.0 t -82.98 118.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -109.18 110.16 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -74.23 124.71 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.32 130.44 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.532 HD21 ' HB3' ' A' ' 103' ' ' ALA . 26.7 p-10 -144.58 175.89 9.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -53.09 -33.86 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.532 ' HB3' HD21 ' A' ' 101' ' ' ASN . . . -68.28 -53.6 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.13 -135.74 3.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.4 p -145.49 152.24 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -138.68 117.28 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.808 ' ND2' HG21 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -85.73 121.34 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -77.82 175.3 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.79 148.14 98.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.1 m -109.22 100.24 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -75.19 138.17 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.555 HD12 ' CD1' ' A' ' 95' ' ' PHE . 35.0 mt -136.02 171.62 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 14.9 mtpp -140.73 135.21 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.738 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 26.5 p -86.22 179.9 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.3 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.539 0.685 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -54.96 138.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.14 15.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.5 Cg_endo -69.77 146.44 60.16 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.665 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.5 m -110.18 108.59 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.32 123.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -91.47 97.47 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.06 -21.17 66.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -80.75 -24.81 38.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.03 -30.11 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 143.66 56.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 33' ' ' ILE . 31.0 p -120.31 157.71 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.63 132.04 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -129.82 167.15 18.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.9 p-80 -39.3 -68.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' THR . 69.7 m-20 -122.65 41.52 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -162.14 144.04 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.154 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.494 HD11 ' CG2' ' A' ' 115' ' ' THR . 12.1 mt -144.13 133.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -111.15 102.21 10.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 95' ' ' PHE . 57.7 t -87.71 111.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -92.97 119.45 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 35' ' ' VAL . 37.0 p90 -119.06 145.75 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.759 HD13 ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -99.84 147.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' HD13 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -129.56 116.76 19.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -71.24 -42.08 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -142.57 106.37 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ILE . 12.0 pt-20 -100.62 -26.83 13.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -39.04 -32.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -88.86 -38.35 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' GLU . 53.0 mt -62.14 125.51 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 t -81.46 -32.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.4 p -172.78 160.54 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -108.55 152.94 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.29 126.9 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 16.2 tp -97.2 123.76 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -123.74 115.54 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 72' ' ' MET . 7.7 p90 -133.68 161.16 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.6 t -163.88 144.47 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 40.2 mt -67.23 121.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mpp? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.728 0.299 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 73' ' ' ILE . 5.2 mp -125.5 141.86 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 97.1 t -134.62 92.82 19.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.83 -177.41 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 63.22 50.14 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.918 HG23 ' NE2' ' A' ' 79' ' ' GLN . 23.8 mt -112.67 107.68 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -118.69 40.99 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.918 ' NE2' HG23 ' A' ' 77' ' ' ILE . 11.0 pm0 -139.46 177.31 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.418 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 4.2 m120 -102.94 15.9 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -172.57 123.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.1 t80 -119.43 126.09 50.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.1 m -85.38 106.33 16.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.47 127.86 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -109.5 144.16 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.24 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.1 mt -109.27 177.47 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.39 145.25 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 p -74.71 147.59 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.75 63.61 2.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.8 m -153.0 144.16 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -72.04 145.98 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.539 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 21.7 m-85 -146.69 116.01 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -90.43 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.957 ' CD1' HD12 ' A' ' 113' ' ' LEU . 94.4 m-85 -121.88 139.82 53.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 110' ' ' PRO . 22.3 mt -141.7 106.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.428 HG12 ' HG3' ' A' ' 19' ' ' PRO . 72.2 t -82.81 142.08 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -127.0 118.47 24.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -87.25 109.28 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.2 mt -105.39 139.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 45.3 p30 -144.85 -178.09 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -54.25 -36.37 63.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.35 -73.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -155.71 -135.26 1.97 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 p -144.97 154.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -141.75 108.24 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.78 135.87 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -88.26 176.18 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.98 151.24 96.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.6 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.78 122.7 9.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.322 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 m -103.21 111.02 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.634 ' O ' HD23 ' A' ' 113' ' ' LEU . 9.5 mmm-85 -73.95 141.88 45.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.957 HD12 ' CD1' ' A' ' 95' ' ' PHE . 55.3 mt -147.75 158.98 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -135.98 142.58 44.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.586 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 42.8 p -89.74 176.65 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.545 0.688 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 124.67 11.33 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -49.9 138.88 17.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 131.1 20.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.73 163.18 39.22 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.287 . . . . 0.0 112.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -118.96 103.88 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.47 107.68 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HG3' HD12 ' A' ' 25' ' ' LEU . 10.6 mmm180 -74.46 124.27 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -88.07 -20.25 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.07 -27.88 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' HG3' ' A' ' 22' ' ' ARG . 66.8 mt -89.83 -29.52 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.3 p -63.73 138.19 58.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' ILE . 60.8 p -118.03 149.05 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -118.6 132.75 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -124.66 167.36 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.6 p-80 -38.35 -71.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.515 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 30.8 p30 -116.71 12.71 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.457 ' O ' ' CG1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -129.29 161.47 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.653 HD11 HG23 ' A' ' 115' ' ' THR . 25.1 mt -159.4 134.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -114.2 107.7 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 95' ' ' PHE . 87.5 t -93.47 130.51 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -109.4 123.34 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.444 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 28.6 p90 -118.33 142.96 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -123.18 133.24 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 t -139.29 159.33 42.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.92 -24.95 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -102.99 31.56 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.31 4.37 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -85.36 -31.89 22.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -90.82 -43.37 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.52 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.1 mt -39.27 132.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -79.49 -45.58 19.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.8 p -156.58 156.69 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.3 151.43 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -124.26 129.42 50.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 82' ' ' TYR . 16.2 tp -107.55 125.89 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.717 ' HG2' HD12 ' A' ' 73' ' ' ILE . 30.2 mt-30 -117.29 126.85 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -137.73 145.82 42.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 t -155.61 152.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.518 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 22.3 mt -79.55 110.18 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.572 ' C ' HD13 ' A' ' 73' ' ' ILE . 12.0 mtm . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.717 HD12 ' HG2' ' A' ' 51' ' ' GLN . 5.3 mm -114.22 158.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.782 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 94.3 t -134.9 90.42 22.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 175.81 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 63.7 53.08 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 74' ' ' VAL . 30.9 mt -112.68 106.84 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -114.77 42.97 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -140.44 171.52 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.444 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.4 m120 -98.36 6.54 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -161.53 122.74 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.782 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.0 t80 -120.45 118.76 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -81.62 114.09 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.9 131.57 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.453 ' CD2' HG22 ' A' ' 32' ' ' THR . 13.7 m170 -114.03 151.99 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.06 42.45 4.98 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.602 HD22 ' CE1' ' A' ' 93' ' ' TYR . 66.4 mt -108.1 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -107.06 146.02 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.4 p -74.09 157.61 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.29 40.89 2.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.5 m -130.62 141.71 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -71.89 148.73 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.602 ' CE1' HD22 ' A' ' 87' ' ' LEU . 20.8 m-85 -151.52 116.85 5.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 47.0 mt -89.86 140.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 113' ' ' LEU . 54.3 m-85 -124.96 134.25 52.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 110' ' ' PRO . 57.3 mt -138.28 107.9 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' A' ' 19' ' ' PRO . 53.6 t -83.15 126.43 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.56 ' O ' HD12 ' A' ' 100' ' ' ILE . 25.7 ttpt -115.42 108.85 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.73 127.91 33.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.3 mp -118.36 133.15 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -138.63 -174.96 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.57 -35.43 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.84 -59.54 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.05 -137.79 2.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 t -144.43 154.85 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.47 113.07 8.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.4 126.1 30.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p -81.72 177.2 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.99 149.14 87.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.2 Cg_endo -69.84 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.7 m -96.24 110.1 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.53 ' O ' HD23 ' A' ' 113' ' ' LEU . 17.8 mmm-85 -72.86 129.91 39.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' A' ' 95' ' ' PHE . 71.9 mt -142.36 142.62 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -121.8 148.58 44.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.653 HG23 HD11 ' A' ' 33' ' ' ILE . 18.7 p -91.21 170.22 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.05 49.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -60.43 141.94 91.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.64 9.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 148.27 64.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.2 m -106.29 117.7 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -79.64 117.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.588 ' HG3' HD12 ' A' ' 25' ' ' LEU . 40.6 mmm-85 -86.19 123.22 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -88.02 -20.59 25.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -81.74 -20.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD12 ' HG3' ' A' ' 22' ' ' ARG . 16.0 mt -99.25 -24.91 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 p -75.03 134.8 41.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 p -105.73 158.96 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.18 133.81 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.2 t -132.64 158.07 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.479 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.1 p-80 -33.21 -69.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 40.4 p30 -119.3 44.2 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 ' CG2' HG22 ' A' ' 83' ' ' THR . 0.7 OUTLIER -161.5 154.97 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.59 HD11 HG23 ' A' ' 115' ' ' THR . 30.6 mt -156.66 129.76 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -109.51 105.41 14.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 95' ' ' PHE . 61.1 t -91.38 131.22 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -110.9 121.25 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.499 ' CE3' HG21 ' A' ' 97' ' ' VAL . 19.6 p90 -109.38 141.53 41.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 20' ' ' SER . 3.7 tp -118.98 137.15 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -136.19 157.22 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.56 -29.26 24.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.58 105.12 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -119.68 21.81 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -90.1 -39.35 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -74.92 -43.62 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 100' ' ' ILE . 62.6 mt -45.06 127.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -78.78 -41.11 31.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.1 p -162.19 154.73 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.9 m-85 -102.24 156.89 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.16 126.22 40.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.2 148.62 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.34 114.44 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.483 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 13.1 p90 -129.72 150.0 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.4 t -156.28 156.04 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.87 124.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CD1' HD11 ' A' ' 94' ' ' ILE . 74.9 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.75 0.31 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.27 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.69 HG11 ' CE2' ' A' ' 82' ' ' TYR . 82.5 t -131.42 94.68 25.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.73 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 10.9 p30 48.34 49.43 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.898 HG23 ' NE2' ' A' ' 79' ' ' GLN . 22.7 mt -104.93 107.64 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.3 42.13 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.898 ' NE2' HG23 ' A' ' 77' ' ' ILE . 14.7 pm0 -140.16 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.482 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -104.83 14.14 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -172.54 122.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.69 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.5 t80 -112.53 120.23 40.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.404 HG22 ' CG2' ' A' ' 32' ' ' THR . 7.2 m -84.01 110.94 18.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.405 HG21 ' HE2' ' A' ' 95' ' ' PHE . 45.9 t -85.54 104.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -96.21 133.01 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.93 34.35 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.429 ' CD1' HG13 ' A' ' 33' ' ' ILE . 38.9 mt -94.65 -175.33 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -112.51 139.97 47.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 p -63.49 148.62 48.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.7 60.05 2.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -144.45 137.07 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -71.92 143.45 49.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.412 ' CE1' HD22 ' A' ' 87' ' ' LEU . 21.3 m-85 -144.64 118.23 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.668 HD11 ' CD1' ' A' ' 55' ' ' PHE . 91.2 mt -94.44 127.29 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 113' ' ' LEU . 92.7 m-85 -111.5 146.35 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.596 HD11 ' HB3' ' A' ' 110' ' ' PRO . 64.6 mt -147.1 107.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.499 HG21 ' CE3' ' A' ' 37' ' ' TRP . 66.2 t -89.42 132.96 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -128.78 111.66 13.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -72.89 146.21 46.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.9 mt -132.88 143.59 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -150.43 -178.42 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.36 -27.17 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.74 -71.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.21 -139.81 2.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 p -150.88 149.72 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.96 115.73 16.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -84.03 131.83 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -84.48 176.33 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.49 151.06 87.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.596 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.3 Cg_endo -69.74 129.35 17.47 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.0 m -113.7 106.32 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.485 ' CG ' HG12 ' A' ' 94' ' ' ILE . 12.4 mtt85 -73.85 123.13 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 95' ' ' PHE . 54.9 mt -131.95 144.7 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.9 149.91 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.59 HG23 HD11 ' A' ' 33' ' ' ILE . 19.0 p -93.41 160.95 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.629 0.728 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.75 129.75 18.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.66 134.2 10.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 53.5 Cg_endo -69.73 123.33 10.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 18' ' ' PRO . 54.1 Cg_endo -69.78 146.17 59.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.655 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.1 m -107.23 107.34 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.69 114.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -84.28 105.19 14.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.69 -37.16 76.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 10.0 pt-20 -58.19 -37.51 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 16.7 mt -84.28 -27.35 27.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.7 m -54.34 160.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -146.34 137.3 24.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -113.63 137.87 50.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -129.49 167.08 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 13.8 p-80 -42.2 -64.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 1.4 m-20 -124.71 35.66 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 83' ' ' THR . 2.9 m -156.34 154.74 31.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.652 HD11 ' CG2' ' A' ' 115' ' ' THR . 73.4 mt -154.68 131.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 83' ' ' THR . 99.0 m -113.93 113.42 24.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 95' ' ' PHE . 58.2 t -98.33 130.29 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' A' ' 34' ' ' THR . 7.8 m170 -108.18 125.04 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.479 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 23.4 p90 -115.72 139.17 50.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 20' ' ' SER . 3.3 tp -107.6 139.42 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 38' ' ' ILE . 15.2 p -138.44 149.01 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.45 -31.81 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' OD2' ' CE2' ' A' ' 43' ' ' PHE . 1.1 m-20 -156.38 110.05 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.6 22.14 16.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CE2' ' OD2' ' A' ' 41' ' ' ASP . 1.8 m-85 -81.66 -41.96 20.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 m -74.61 -36.93 62.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.05 122.38 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -65.49 -43.15 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -169.09 161.06 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.41 154.66 19.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' CG2' ' A' ' 73' ' ' ILE . 10.7 tt0 -124.74 131.61 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 82' ' ' TYR . 14.7 tp -107.66 120.34 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.994 ' HG2' HD12 ' A' ' 73' ' ' ILE . 54.8 mt-30 -115.51 119.61 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -131.2 147.64 52.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.3 t -155.12 146.32 22.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.1 mt -75.14 122.04 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.482 ' CD2' HD11 ' A' ' 94' ' ' ILE . 25.4 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.509 ' C ' HD13 ' A' ' 73' ' ' ILE . 11.3 mtm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.994 HD12 ' HG2' ' A' ' 51' ' ' GLN . 8.2 mm -113.34 161.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.764 HG11 ' CE2' ' A' ' 82' ' ' TYR . 97.9 t -135.0 88.72 26.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.12 7.18 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 62.96 54.75 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.542 HD11 ' O ' ' A' ' 74' ' ' VAL . 47.6 mt -112.53 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -118.82 41.61 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -138.8 173.13 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.479 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.0 m120 -99.71 12.77 35.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -171.86 121.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.764 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.2 t80 -112.43 123.92 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.427 HG22 ' CG2' ' A' ' 32' ' ' THR . 10.6 m -89.45 107.74 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -83.52 111.62 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.71 149.67 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.79 39.89 4.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 93' ' ' TYR . 45.3 mt -103.7 -179.99 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -99.77 148.88 23.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 p -81.21 141.82 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.79 57.2 16.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -147.72 141.98 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.432 ' HG2' ' CG ' ' A' ' 114' ' ' LYS . 32.5 mtt180 -71.92 140.79 49.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.615 ' CE2' HD22 ' A' ' 87' ' ' LEU . 17.1 m-85 -140.83 119.19 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 55' ' ' PHE . 66.8 mt -89.92 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' CD1' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -129.11 134.62 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.564 HD11 ' HB3' ' A' ' 110' ' ' PRO . 46.1 mt -136.28 109.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.427 HG21 ' CE3' ' A' ' 37' ' ' TRP . 57.8 t -82.98 135.46 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HD3' ' CG1' ' A' ' 100' ' ' ILE . 13.9 ttmt -123.48 129.46 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -99.56 111.22 23.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 12.7 mt -106.29 130.54 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -136.51 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.49 -38.1 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.82 -72.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.28 -139.7 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 p -140.78 153.89 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -138.28 105.08 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -79.68 130.84 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.5 p -83.52 175.03 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.81 150.81 93.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.564 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.7 Cg_endo -69.77 119.77 6.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.7 m -99.92 105.75 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -72.99 127.05 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.61 HD12 ' CD1' ' A' ' 95' ' ' PHE . 89.3 mt -132.33 158.7 41.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 92' ' ' ARG . 28.7 mtpt -132.25 138.99 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.816 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.3 p -85.41 173.84 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.583 0.706 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.751 2.301 . . . . 0.0 112.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -41.07 135.83 1.68 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.22 20.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.94 20.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.67 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.7 m -122.27 100.45 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.17 101.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.628 ' HG3' HD12 ' A' ' 25' ' ' LEU . 34.6 mmm-85 -71.36 125.31 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -88.07 -25.89 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.19 -20.52 48.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 ' HG3' ' A' ' 22' ' ' ARG . 44.2 mt -96.77 -26.11 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -74.97 139.18 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 p -114.81 162.63 16.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.62 135.23 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.2 m -129.25 166.01 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -124.93 39.48 3.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -160.93 153.45 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.603 HD11 ' CG2' ' A' ' 115' ' ' THR . 65.9 mt -153.63 135.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 m -111.75 108.8 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.545 HG21 ' CG ' ' A' ' 95' ' ' PHE . 66.9 t -93.15 125.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -107.82 127.33 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 97' ' ' VAL . 26.4 p90 -122.84 148.9 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.67 HG23 ' HB2' ' A' ' 20' ' ' SER . 3.8 tt -128.34 147.97 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -139.16 154.57 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.69 -36.79 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.91 99.66 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.9 -25.33 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -45.76 -38.26 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -71.21 -40.85 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 100' ' ' ILE . 41.0 mt -65.23 116.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -79.1 -24.84 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.404 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 23.9 p -166.75 155.08 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.29 153.15 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 73' ' ' ILE . 13.2 tt0 -127.25 130.38 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 14.7 tp -98.17 150.19 21.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -148.22 114.35 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 19.4 p90 -132.19 153.77 50.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.0 t -158.61 140.37 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.542 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 58.7 mt -70.19 116.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CD2' HD11 ' A' ' 94' ' ' ILE . 32.3 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 11.1 mtm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.72 0.295 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.44 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -115.26 143.08 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.607 ' O ' HD11 ' A' ' 77' ' ' ILE . 75.5 t -134.95 96.25 14.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 0.0 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.0 Cg_endo -69.77 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 10.4 p30 48.5 51.85 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.607 HD11 ' O ' ' A' ' 74' ' ' VAL . 18.4 mt -113.65 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 47' ' ' SER . 0.0 OUTLIER -107.06 41.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.31 171.4 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.404 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -99.33 11.23 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -166.78 126.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.4 t80 -119.76 115.66 24.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -81.64 113.72 19.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.26 117.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.544 ' CD2' ' CG2' ' A' ' 32' ' ' THR . 10.5 m-70 -103.91 135.61 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.82 35.38 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.794 HD22 ' CE1' ' A' ' 93' ' ' TYR . 53.5 mt -99.15 -176.74 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -112.79 147.25 37.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 p -68.02 150.4 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 37.95 63.58 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.0 m -145.98 143.23 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -71.74 141.19 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.794 ' CE1' HD22 ' A' ' 87' ' ' LEU . 15.8 m-85 -145.27 114.1 6.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 55' ' ' PHE . 39.1 mt -89.81 141.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CG ' HG21 ' A' ' 35' ' ' VAL . 89.6 m-85 -130.71 142.87 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 110' ' ' PRO . 90.7 mt -149.08 110.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.546 HG21 ' CE3' ' A' ' 37' ' ' TRP . 90.5 t -82.05 137.4 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -120.06 108.54 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -76.95 120.71 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 45' ' ' ILE . 24.4 mt -110.77 141.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -150.95 -177.95 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.21 -31.14 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.74 -72.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.94 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.3 p -137.71 163.32 31.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -146.54 119.1 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.456 ' OD1' HG21 ' A' ' 96' ' ' ILE . 1.7 t-20 -88.13 123.89 33.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' ILE . 3.2 t -76.61 171.99 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 150.81 97.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 95.2 m -95.86 104.06 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 129.12 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 95' ' ' PHE . 67.0 mt -136.39 146.13 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -121.98 135.61 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.648 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 69.1 p -79.49 170.79 16.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 56.2 m-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.544 0.688 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.09 10.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.14 138.18 14.01 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.626 0.727 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 123.84 10.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 162.19 43.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.528 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.7 m -121.16 108.95 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.514 HG23 HG13 ' A' ' 35' ' ' VAL . 93.0 mt -71.52 104.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -70.33 96.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -62.43 -31.64 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.36 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 mt -84.41 -26.89 27.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.6 m -53.98 163.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.6 p -147.43 140.32 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.765 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -115.48 134.47 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 20.7 m -127.76 166.88 17.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.2 p-80 -37.44 -71.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 m-20 -119.23 23.38 11.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.43 156.8 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.742 HD11 HG23 ' A' ' 115' ' ' THR . 59.8 mt -156.57 132.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 m -114.82 118.68 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG13 HG23 ' A' ' 21' ' ' ILE . 96.7 t -104.8 129.21 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -108.42 119.94 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -109.79 132.37 54.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 20' ' ' SER . 2.4 tp -103.17 128.98 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -138.72 146.53 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -111.53 83.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -114.98 21.88 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -92.54 -33.07 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -82.05 -44.09 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.458 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.6 mt -43.6 121.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -64.13 -40.18 95.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -169.16 158.19 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.96 148.59 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -124.54 133.01 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 tp -107.55 135.38 49.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.16 121.12 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 22.0 p90 -133.7 146.83 51.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -155.67 153.55 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.2 mt -78.5 119.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 94' ' ' ILE . 32.0 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.6 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.78 142.63 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.561 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 89.8 t -134.63 91.54 21.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -177.05 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 62.1 50.06 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 74' ' ' VAL . 28.6 mt -109.28 101.41 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -111.43 43.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.68 169.98 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.04 14.79 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -170.24 123.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 4.5 t80 -121.67 120.48 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.6 m -83.45 110.98 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.2 t -81.9 125.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -112.17 143.28 43.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.78 42.57 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 93' ' ' TYR . 19.3 mt -107.5 179.97 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -104.66 139.28 39.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 p -68.78 142.97 54.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.24 62.4 4.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.6 m -150.37 145.63 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -72.11 142.0 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 87' ' ' LEU . 18.8 m-85 -143.01 124.15 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' A' ' 55' ' ' PHE . 75.7 mt -99.15 133.78 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.489 ' CD1' HD12 ' A' ' 113' ' ' LEU . 96.2 m-85 -120.9 142.9 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 110' ' ' PRO . 52.6 mt -145.54 110.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.5 t -84.44 126.62 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 100' ' ' ILE . 22.4 ttpt -118.91 112.9 20.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -83.19 131.23 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.3 mp -120.51 138.92 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.402 HD21 ' HB3' ' A' ' 103' ' ' ALA . 27.4 p-10 -142.4 173.46 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -48.03 -31.6 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.402 ' HB3' HD21 ' A' ' 101' ' ' ASN . . . -75.32 -72.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.61 -134.36 1.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.9 t -154.05 156.57 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -139.94 113.34 8.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -80.25 135.12 36.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -87.28 178.96 6.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.48 150.46 86.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.709 0.766 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 121.5 8.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.3 m -100.21 108.27 20.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -74.23 129.83 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 95' ' ' PHE . 91.7 mt -141.49 140.43 33.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 2.4 mtpm? -118.06 135.73 54.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.765 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 24.0 p -80.87 166.35 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 3.2 m-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.531 0.682 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 125.35 12.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -52.38 138.35 39.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.87 16.66 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.567 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.9 m -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.51 105.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 6.0 mmp_? -79.84 126.62 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.25 -27.98 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.54 -25.14 59.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.17 -29.98 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.0 p -71.6 145.08 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -123.88 153.06 41.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -119.62 134.34 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' HIS . 15.0 m -128.84 166.6 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 4.3 p-80 -35.98 -72.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.51 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.7 m-20 -116.39 11.77 15.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.428 ' C ' HG13 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -124.81 157.27 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.581 HD11 ' CG2' ' A' ' 115' ' ' THR . 60.6 mt -157.54 130.79 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -110.59 114.5 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' A' ' 95' ' ' PHE . 87.0 t -102.95 124.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -105.43 126.02 51.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.643 ' CE3' HG21 ' A' ' 97' ' ' VAL . 16.3 p90 -117.31 133.39 56.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.8 tp -110.85 128.89 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 142.76 51.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.02 -9.46 30.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -175.16 126.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.32 21.51 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.22 -37.64 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 m -76.43 -44.15 37.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 100' ' ' ILE . 71.4 mt -50.56 122.43 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.64 -36.2 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 p -163.42 165.64 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 4.5 m-85 -111.49 171.03 7.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -127.9 145.59 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 82' ' ' TYR . 15.5 tp -130.42 119.48 22.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.491 ' NE2' HG12 ' A' ' 73' ' ' ILE . 9.5 mt-30 -122.31 135.83 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.615 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 3.4 p90 -150.3 145.06 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -155.7 151.77 27.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.5 mt -69.51 117.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 94' ' ' ILE . 36.1 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.615 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.5 ptp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.749 0.309 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.624 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -136.94 152.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.67 ' O ' HD11 ' A' ' 77' ' ' ILE . 79.3 t -130.35 92.07 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.78 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 63.81 46.5 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 74' ' ' VAL . 52.2 mt -109.07 126.45 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -134.92 40.76 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -135.49 166.45 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -93.48 12.96 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -171.65 124.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.627 ' CD1' HD22 ' A' ' 50' ' ' LEU . 14.2 t80 -116.03 114.53 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.7 m -77.08 113.41 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG21 ' HE2' ' A' ' 95' ' ' PHE . 88.0 t -84.5 131.69 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.414 ' CD2' HG22 ' A' ' 32' ' ' THR . 10.0 m-70 -121.77 130.22 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.51 50.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.841 HD22 ' CE2' ' A' ' 93' ' ' TYR . 21.7 mt -119.45 -175.49 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -113.22 139.2 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -63.38 147.43 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.33 55.1 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -141.09 141.14 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 43.0 mtt180 -72.02 154.87 40.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.841 ' CE2' HD22 ' A' ' 87' ' ' LEU . 24.6 m-85 -157.05 119.16 3.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 55' ' ' PHE . 67.1 mt -91.47 116.33 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.681 ' CD1' HD12 ' A' ' 113' ' ' LEU . 73.3 m-85 -99.77 138.37 36.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' A' ' 110' ' ' PRO . 51.6 mt -139.05 105.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.643 HG21 ' CE3' ' A' ' 37' ' ' TRP . 77.2 t -88.6 139.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 49' ' ' GLU . 21.2 ttpp -132.29 130.07 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -92.42 131.39 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 45' ' ' ILE . 5.1 mp -120.42 141.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -152.63 179.9 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.95 -34.51 59.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.82 -71.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.62 -142.69 3.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.5 p -144.59 153.64 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -141.25 111.1 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.52 129.14 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -77.78 179.01 6.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.28 151.12 83.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.66 0.743 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.491 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.5 Cg_endo -69.76 113.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -99.32 103.91 15.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -72.91 131.08 41.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 95' ' ' PHE . 78.8 mt -128.56 168.79 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -138.88 131.61 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.691 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 40.2 p -79.76 165.92 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 85.6 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.9 20.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -52.86 137.58 45.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.34 15.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.69 156.79 62.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.519 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.6 m -112.0 99.98 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.419 HD11 ' H ' ' A' ' 97' ' ' VAL . 91.7 mt -64.94 104.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -77.87 127.11 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -88.02 -30.4 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.21 -24.05 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.6 mt -92.85 -30.16 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.97 154.13 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 p -130.77 149.92 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.95 131.39 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 32' ' ' THR . 1.1 t -128.32 166.57 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.489 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.9 p-80 -42.28 -68.04 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' HG23 ' A' ' 32' ' ' THR . 1.0 OUTLIER -122.1 37.88 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -161.2 135.64 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.72 HD11 HG23 ' A' ' 115' ' ' THR . 82.5 mt -137.31 134.3 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -112.35 110.7 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG21 ' CG ' ' A' ' 95' ' ' PHE . 97.2 t -99.17 132.0 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -111.97 124.14 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.489 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 17.7 p90 -112.16 134.47 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.7 tp -110.99 129.23 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.8 t -131.11 153.35 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 41' ' ' ASP . 20.0 p-10 -89.7 -31.49 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 2.3 m-20 -131.51 100.78 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -113.38 -33.7 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.27 -31.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -79.6 -45.94 18.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.63 120.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 -45.22 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.2 p -155.2 158.61 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -107.19 157.69 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -132.02 133.53 44.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.489 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 tp -108.56 141.18 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.711 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.7 mt-30 -130.18 116.13 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.05 145.52 50.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.7 t -157.39 143.39 17.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 33.7 mt -69.31 114.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.438 ' C ' HD13 ' A' ' 73' ' ' ILE . 11.5 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.711 HD12 ' HG2' ' A' ' 51' ' ' GLN . 4.9 mm -110.25 156.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.635 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 96.5 t -135.0 94.43 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.7 -166.18 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.6 p-10 47.72 54.4 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 74' ' ' VAL . 16.7 mt -108.9 108.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -118.21 43.25 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.38 166.96 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -87.89 -6.74 57.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -153.87 133.01 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.635 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 9.3 t80 -122.75 129.89 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 m -92.16 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.5 t -78.0 124.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -105.5 149.89 25.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 43.69 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 93' ' ' TYR . 19.7 mt -106.54 171.06 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -97.76 137.4 36.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.3 p -69.07 149.11 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.32 51.79 9.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -141.91 146.22 35.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.749 0.309 . . . . 0.0 111.149 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' CD ' ' HE ' ' A' ' 112' ' ' ARG . 14.4 mtt85 -72.69 147.86 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.5 m-85 -148.57 119.45 7.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.474 HG12 ' CG ' ' A' ' 112' ' ' ARG . 50.0 mt -89.77 142.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.659 ' CD2' HD12 ' A' ' 113' ' ' LEU . 91.8 m-85 -128.85 134.98 48.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 20.5 mt -141.09 106.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.439 HG12 ' HG3' ' A' ' 19' ' ' PRO . 73.3 t -83.3 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 21.1 ttpp -128.45 110.85 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.37 136.08 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.3 mt -124.38 131.6 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -138.95 -175.14 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -59.74 -34.3 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.498 ' N ' ' OE1' ' A' ' 102' ' ' GLN . . . -70.47 -55.84 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.77 -133.55 1.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.5 p -149.12 162.96 38.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.385 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.02 113.24 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.453 ' ND2' ' HB2' ' A' ' 98' ' ' LYS . 5.9 m120 -81.08 133.79 35.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.4 p -89.32 177.91 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.91 151.23 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.7 m -120.22 101.02 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.474 ' CG ' HG12 ' A' ' 94' ' ' ILE . 2.8 mtp-105 -73.31 128.07 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.659 HD12 ' CD2' ' A' ' 95' ' ' PHE . 88.1 mt -128.02 150.25 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 31.1 mtpt -117.27 132.18 56.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.72 HG23 HD11 ' A' ' 33' ' ' ILE . 19.2 p -82.56 163.5 21.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.546 0.688 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 136.93 34.33 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -57.68 141.64 79.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.88 10.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.22 59.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -103.73 120.82 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.55 120.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' HD12 ' A' ' 25' ' ' LEU . 13.6 mmm180 -88.35 123.67 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.82 -21.89 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.453 HD12 ' HG3' ' A' ' 22' ' ' ARG . 56.3 mt -97.04 -29.28 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.3 p -71.63 147.53 47.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 33' ' ' ILE . 55.9 p -123.04 162.67 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.6 137.03 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.7 m -132.31 165.95 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 3.5 p-80 -35.17 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 19.2 p30 -118.2 34.56 5.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 ' C ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -152.49 154.63 35.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 115' ' ' THR . 70.8 mt -154.96 138.55 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -114.02 109.79 19.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.4 t -95.26 136.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.26 119.42 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CE3' HG21 ' A' ' 97' ' ' VAL . 30.7 p90 -112.05 132.11 55.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.98 135.59 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -138.6 139.68 38.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.35 14.99 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.55 120.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.0 pt-20 -132.92 -32.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' GLU . 22.4 m-85 -36.23 -38.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -78.17 -40.29 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' GLU . 48.6 mt -62.2 127.14 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.2 m -81.89 -39.17 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.3 p -163.15 154.28 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -103.35 153.02 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.639 ' CD ' HD13 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -129.29 143.08 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.34 138.99 47.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -135.49 113.96 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.581 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 49.0 p90 -129.33 149.84 50.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.6 t -154.88 141.43 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.3 117.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.793 ' CD2' HD11 ' A' ' 94' ' ' ILE . 33.8 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.407 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.9 mpp? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.753 0.311 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 72' ' ' MET . 5.3 mp -141.84 143.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HD11 ' A' ' 77' ' ' ILE . 99.4 t -133.84 93.54 20.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.67 -179.21 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.94 49.29 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.521 HD11 ' O ' ' A' ' 74' ' ' VAL . 35.7 mt -109.82 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -112.54 44.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -141.21 170.75 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -97.23 10.22 40.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -167.3 129.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -123.37 131.4 53.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 m -90.78 106.95 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.61 HG21 ' HE1' ' A' ' 95' ' ' PHE . 62.3 t -78.3 121.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -106.49 146.08 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 49.13 3.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 93' ' ' TYR . 37.8 mt -111.28 177.24 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -104.57 135.86 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 m -73.55 142.44 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.64 85.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -146.29 142.17 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.453 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 38.6 mtt-85 -73.44 139.06 45.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.538 ' CE2' HD22 ' A' ' 87' ' ' LEU . 15.2 m-85 -135.59 120.98 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 55' ' ' PHE . 84.0 mt -95.25 128.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' HE1' HG21 ' A' ' 84' ' ' VAL . 96.6 m-85 -116.3 140.92 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mt -138.89 107.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.445 HG21 ' CE3' ' A' ' 37' ' ' TRP . 53.6 t -82.93 134.94 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.588 ' HD2' HD11 ' A' ' 100' ' ' ILE . 8.0 ttmm -123.48 129.04 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -99.34 110.27 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.639 HD13 ' CD ' ' A' ' 49' ' ' GLU . 4.5 mp -100.49 145.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' A' ' 103' ' ' ALA . 29.9 p-10 -154.53 179.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -54.08 -34.2 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.406 ' HB3' HD21 ' A' ' 101' ' ' ASN . . . -71.58 -57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.13 -130.39 1.36 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 p -154.98 151.15 28.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -135.06 110.84 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -81.86 134.1 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -88.06 179.08 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.11 149.91 89.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.68 132.98 24.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -120.29 109.87 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -88.05 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.3 mt -134.16 155.0 50.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HG3' ' NH1' ' A' ' 92' ' ' ARG . 30.9 mtpt -114.12 124.8 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.831 HG23 HD11 ' A' ' 33' ' ' ILE . 10.9 p -79.91 161.98 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.598 0.713 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 141.46 45.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -69.93 139.9 88.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 174.91 8.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -126.6 112.29 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.3 mt -77.32 98.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -71.31 125.46 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.82 -30.32 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.94 -24.27 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.55 -29.51 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.79 140.4 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 33' ' ' ILE . 29.1 p -123.84 159.23 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -126.08 146.79 49.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.3 m -138.34 167.31 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.3 p-80 -33.75 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.51 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 2.7 p30 -117.53 29.35 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -147.57 154.83 41.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 27' ' ' THR . 70.6 mt -153.3 137.8 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -114.15 109.28 18.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.19 129.22 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -108.08 119.99 41.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.8 p90 -112.49 136.82 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -116.03 138.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -71.29 -28.67 64.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.5 118.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.71 22.28 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.37 -42.34 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -72.2 -42.74 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.465 HD13 ' HB1' ' A' ' 99' ' ' ALA . 61.3 mt -53.31 116.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -67.01 -43.26 83.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.7 p -160.71 155.13 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 8.8 m-85 -101.71 156.43 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.633 ' HG2' HG23 ' A' ' 73' ' ' ILE . 7.2 tt0 -122.51 121.3 36.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -93.43 119.36 32.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -117.81 113.73 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 72' ' ' MET . 4.0 p90 -134.58 158.61 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.4 t -162.67 147.6 12.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.489 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 56.3 mt -70.43 120.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 94' ' ' ILE . 27.5 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.549 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 8.6 mtm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.776 0.322 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.633 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -119.01 139.74 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.553 ' O ' HD11 ' A' ' 77' ' ' ILE . 72.3 t -134.95 89.78 23.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 111.186 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 62.86 47.26 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.553 HD11 ' O ' ' A' ' 74' ' ' VAL . 41.8 mt -110.17 125.03 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -135.06 41.69 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.494 ' CD ' HG23 ' A' ' 77' ' ' ILE . 20.2 pm0 -134.78 -179.74 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -108.73 14.64 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -172.7 121.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.5 t80 -115.89 117.51 30.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.408 HG22 ' CD2' ' A' ' 85' ' ' HIS . 14.2 m -79.2 111.02 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.02 123.52 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.417 ' CD2' HG22 ' A' ' 32' ' ' THR . 16.9 m170 -108.75 143.94 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.55 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.3 mt -106.1 179.29 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.15 158.6 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.6 p -90.06 149.49 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.19 45.64 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.5 m -135.91 141.55 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -71.92 136.26 46.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.489 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.7 m-85 -136.05 114.68 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 55' ' ' PHE . 79.5 mt -91.51 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 97.5 m-85 -123.66 143.23 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.649 HD11 ' HB3' ' A' ' 110' ' ' PRO . 57.1 mt -145.62 110.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -82.72 136.31 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 98' ' ' LYS . 1.8 ttmp? -125.55 114.81 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.465 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -82.74 131.29 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -124.19 140.06 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.532 HD21 ' HB3' ' A' ' 103' ' ' ALA . 20.2 p-10 -152.75 -179.6 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -52.8 -33.86 50.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.532 ' HB3' HD21 ' A' ' 101' ' ' ASN . . . -68.81 -71.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.29 -138.54 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.7 p -150.15 141.82 23.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.88 147.49 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -114.36 129.31 56.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.71 167.87 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -68.39 149.7 97.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.649 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.74 126.45 13.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -108.18 110.44 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -74.42 120.89 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 95' ' ' PHE . 91.7 mt -128.55 161.25 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 11.1 mtpt -141.22 148.76 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.781 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 44.2 p -78.68 177.94 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 44.0 m-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.603 0.716 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HB3' ' CG ' ' A' ' 101' ' ' ASN . 53.3 Cg_endo -69.81 126.74 13.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.97 132.53 39.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.18 13.03 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.56 30.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.9 m -124.03 110.01 14.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.0 mt -72.07 119.73 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -91.37 108.04 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -71.87 -34.22 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.19 -32.1 73.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.04 -26.0 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.43 162.68 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -146.76 142.09 27.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.79 139.07 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 30' ' ' HIS . 14.4 m -131.7 162.25 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.4 p-80 -34.02 -67.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.504 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 5.6 m-20 -124.72 29.94 6.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.08 149.58 33.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 115' ' ' THR . 76.9 mt -149.67 133.23 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -115.86 118.88 34.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.598 HG21 ' CG ' ' A' ' 95' ' ' PHE . 48.0 t -101.5 133.7 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -111.87 122.78 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.528 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.5 p90 -113.37 135.81 53.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 20' ' ' SER . 3.1 tp -106.16 131.76 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -138.62 143.83 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -86.3 -42.79 13.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -115.45 85.44 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -110.31 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.89 -38.14 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -75.54 -41.47 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.586 HD13 ' HB1' ' A' ' 99' ' ' ALA . 70.2 mt -49.48 112.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -58.79 -43.41 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.2 p -163.92 159.14 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 8.1 m-85 -103.83 154.55 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.31 131.34 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 12.7 tp -101.81 145.53 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.13 115.59 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 37.7 p90 -130.13 146.19 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -152.07 142.54 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.535 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 69.5 mt -66.76 120.59 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 94' ' ' ILE . 2.0 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.59 143.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.684 HG11 ' CE2' ' A' ' 82' ' ' TYR . 96.9 t -133.98 94.27 18.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.449 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 53.8 Cg_endo -69.79 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.7 p-10 47.09 53.13 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 74' ' ' VAL . 14.2 mt -107.83 107.62 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -114.39 43.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -140.0 165.61 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.467 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 9.6 m-20 -93.29 13.07 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -173.08 125.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.684 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.6 t80 -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -88.92 105.86 18.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 65.2 t -81.79 123.36 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -108.6 151.78 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.77 33.81 9.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 HD12 ' A' ' 33' ' ' ILE . 64.2 mt -91.26 -175.58 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -109.24 136.91 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.93 149.1 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.59 63.72 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.5 m -154.26 142.37 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.554 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 15.3 mtt180 -71.75 136.76 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.535 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 15.1 m-85 -137.77 119.85 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.613 HD11 ' HD2' ' A' ' 55' ' ' PHE . 71.2 mt -93.54 132.55 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CG ' HG21 ' A' ' 35' ' ' VAL . 96.5 m-85 -119.46 130.9 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.3 mt -132.03 111.11 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.528 HG21 ' CE3' ' A' ' 37' ' ' TRP . 59.5 t -85.55 127.08 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -118.71 115.17 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.586 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -84.77 134.67 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.2 mt -119.04 125.92 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 27.6 p-10 -137.94 -174.97 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -59.67 -35.19 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.8 -56.2 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.93 -137.03 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 p -140.86 141.12 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -125.74 127.42 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.63 130.73 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -84.24 178.81 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -71.48 148.16 93.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.73 5.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.7 m -108.18 110.29 21.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.429 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -89.84 133.89 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.583 HD12 ' CD1' ' A' ' 95' ' ' PHE . 14.6 mt -129.96 174.42 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -140.73 139.65 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.786 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 50.2 p -89.26 -179.67 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.5 Cg_endo -69.8 147.58 62.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.28 142.49 81.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 120.9 7.6 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 144.98 55.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.16 117.42 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -82.37 103.73 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -74.47 125.41 28.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -87.75 -18.9 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.92 -23.29 39.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.59 -30.07 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.0 p -64.23 145.48 55.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 33' ' ' ILE . 69.6 p -121.58 151.59 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -122.88 138.0 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.9 t -134.9 163.92 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 5.9 p-80 -42.82 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.2 m-20 -120.15 35.15 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -160.63 147.41 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.778 HD11 HG23 ' A' ' 115' ' ' THR . 78.1 mt -149.66 133.77 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -109.47 118.5 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG21 ' CG ' ' A' ' 95' ' ' PHE . 48.1 t -104.2 129.13 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -109.27 126.29 53.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -116.24 130.94 57.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -104.95 132.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -139.01 143.22 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.46 -37.11 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.09 93.83 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -122.86 21.1 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.17 -26.08 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 m -87.23 -44.14 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.529 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.4 mt -43.24 121.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -66.68 -45.61 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 p -159.89 156.43 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 9.1 m-85 -103.17 151.63 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.709 ' HG3' HG23 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -123.61 129.15 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 82' ' ' TYR . 15.2 tp -104.9 119.86 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -114.79 120.34 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -134.98 146.69 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 t -158.48 148.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.56 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 94' ' ' ILE . 54.4 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.465 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.4 mpp? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.747 0.308 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.709 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.3 mp -146.2 141.77 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.688 ' O ' HD11 ' A' ' 77' ' ' ILE . 78.6 t -131.92 93.56 26.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.73 -170.32 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 60.9 36.69 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.688 HD11 ' O ' ' A' ' 74' ' ' VAL . 20.8 mt -99.42 104.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -117.65 37.16 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -132.79 178.22 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -102.55 12.54 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -172.13 125.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 7.7 t80 -115.71 124.72 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.476 HG22 ' CD2' ' A' ' 85' ' ' HIS . 24.7 m -84.39 107.5 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.672 HG21 ' HE2' ' A' ' 95' ' ' PHE . 58.6 t -80.77 109.61 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.476 ' CD2' HG22 ' A' ' 83' ' ' THR . 7.4 m-70 -100.79 140.58 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.51 41.98 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.563 HD13 HD12 ' A' ' 33' ' ' ILE . 42.9 mt -107.03 -175.51 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -112.36 140.23 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.2 p -67.31 146.43 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.74 54.05 9.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -139.73 140.72 36.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 0.0 111.135 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -72.13 145.46 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.506 ' CE1' HD22 ' A' ' 87' ' ' LEU . 23.8 m-85 -149.14 122.24 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 55' ' ' PHE . 59.5 mt -95.65 127.63 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.672 ' HE2' HG21 ' A' ' 84' ' ' VAL . 84.6 m-85 -113.87 140.21 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 110' ' ' PRO . 63.2 mt -142.39 105.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.2 t -83.49 129.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.51 ' HZ3' ' CB ' ' A' ' 98' ' ' LYS . 5.1 ttpm? -122.51 122.91 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.529 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -90.71 125.02 35.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 5.1 mp -113.74 141.02 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -148.89 -175.02 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.66 -70.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.63 -135.19 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.9 145.8 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -132.16 120.32 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -91.83 132.01 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 t -81.38 171.66 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.03 151.2 95.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.492 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.76 114.87 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.246 . . . . 0.0 112.369 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -99.53 102.56 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -75.18 126.53 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.416 HD12 ' CD1' ' A' ' 95' ' ' PHE . 83.9 mt -123.01 161.32 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -136.44 129.65 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.778 HG23 HD11 ' A' ' 33' ' ' ILE . 39.4 p -78.99 169.09 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 25.4 p30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 145.54 57.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.06 128.44 87.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 121.29 8.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.03 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.91 108.31 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.499 HD11 ' H ' ' A' ' 97' ' ' VAL . 54.4 mt -74.9 115.6 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HG3' HD12 ' A' ' 25' ' ' LEU . 11.4 mmm180 -79.31 122.89 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 8.3 pm0 -79.0 -20.66 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' HG3' ' A' ' 22' ' ' ARG . 66.9 mt -96.77 -29.68 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 p -68.81 136.94 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p -111.76 161.94 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -128.21 136.33 50.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.475 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.6 t -131.85 164.18 26.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -48.6 -61.19 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 87' ' ' LEU . 26.0 t70 -119.72 28.25 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.423 HG21 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -154.43 152.67 30.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.788 HD11 ' CG2' ' A' ' 115' ' ' THR . 34.4 mt -154.96 127.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -105.95 119.22 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.886 HG21 ' CD2' ' A' ' 95' ' ' PHE . 92.2 t -106.94 120.26 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -100.37 124.32 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -118.95 132.16 56.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 20' ' ' SER . 3.2 tp -100.8 141.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 38' ' ' ILE . 57.1 p -135.67 142.22 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -91.82 -4.53 54.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -173.99 125.76 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.91 3.55 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.78 -31.85 66.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 t -85.61 -33.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.56 HD13 ' HB1' ' A' ' 99' ' ' ALA . 89.7 mt -65.55 113.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -29.29 68.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -173.04 157.01 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.2 m-85 -100.81 155.14 18.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -129.38 131.11 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -102.59 149.4 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -144.6 114.49 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 11.5 p90 -128.98 148.7 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -157.28 142.47 17.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 49.3 mt -67.59 124.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 94' ' ' ILE . 38.2 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 12.7 mtm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.74 0.305 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.5 mp -117.96 143.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.726 HG11 ' CE2' ' A' ' 82' ' ' TYR . 48.2 t -131.7 94.11 26.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 62.13 50.39 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.779 HG23 ' NE2' ' A' ' 79' ' ' GLN . 3.8 mt -109.96 106.25 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.14 38.39 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.779 ' NE2' HG23 ' A' ' 77' ' ' ILE . 14.9 pm0 -133.97 -178.54 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -107.21 12.87 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -172.53 122.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.726 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.5 t80 -113.4 119.59 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.433 HG22 ' CD2' ' A' ' 85' ' ' HIS . 40.4 m -81.21 110.39 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 109.47 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.433 ' CD2' HG22 ' A' ' 83' ' ' THR . 29.1 m-70 -96.49 149.3 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.49 38.29 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 93' ' ' TYR . 13.9 mt -103.44 174.79 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.49 147.01 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -81.56 143.42 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.8 48.54 61.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.0 m -140.55 144.26 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -72.3 147.08 46.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.541 ' CE2' HD22 ' A' ' 87' ' ' LEU . 16.3 m-85 -146.7 120.59 9.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.525 HD11 ' CD2' ' A' ' 55' ' ' PHE . 91.3 mt -91.8 133.36 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.886 ' CD2' HG21 ' A' ' 35' ' ' VAL . 41.5 m-85 -120.81 132.17 54.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 110' ' ' PRO . 62.9 mt -137.39 105.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.499 ' H ' HD11 ' A' ' 21' ' ' ILE . 62.8 t -83.19 137.81 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -126.81 123.19 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -93.3 126.87 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -113.08 130.69 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -136.91 -177.95 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.28 -33.66 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.94 -72.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.2 -143.09 3.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -134.84 145.62 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -131.65 108.79 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -83.79 127.99 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -78.09 177.37 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.74 151.27 84.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.605 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.77 119.53 6.46 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.0 m -101.73 110.44 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -73.45 136.2 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.678 HD12 ' CD1' ' A' ' 95' ' ' PHE . 95.9 mt -140.11 154.2 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -130.55 135.12 47.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.788 ' CG2' HD11 ' A' ' 33' ' ' ILE . 22.2 p -84.07 172.94 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 26.4 p30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 142.01 46.56 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -62.66 138.08 96.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.26 13.07 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.22 61.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.8 m -110.79 104.22 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.42 HG23 ' CG1' ' A' ' 35' ' ' VAL . 22.2 mt -70.05 105.51 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.546 ' HG3' HD12 ' A' ' 25' ' ' LEU . 25.8 mmm-85 -74.97 121.99 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -87.45 -14.31 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.62 -26.68 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 22' ' ' ARG . 28.8 mt -90.86 -27.01 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 12.6 p -65.08 148.62 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -122.02 149.9 42.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -122.09 132.41 54.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -131.47 165.37 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.5 p-80 -39.87 -68.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 82.0 m-20 -120.45 35.49 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.442 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -154.81 148.38 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.911 HD11 HG23 ' A' ' 115' ' ' THR . 91.3 mt -151.0 137.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.1 m -117.32 118.93 33.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.763 HG21 ' CD2' ' A' ' 95' ' ' PHE . 97.3 t -105.39 127.93 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 3.3 m170 -106.72 126.8 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CE3' HG21 ' A' ' 97' ' ' VAL . 18.9 p90 -117.38 132.51 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.3 tp -110.96 136.43 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 p -132.5 156.26 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.35 -35.13 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.33 115.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -103.03 13.14 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.06 -22.67 59.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.61 -39.62 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.561 HD13 ' HB1' ' A' ' 99' ' ' ALA . 62.7 mt -60.24 136.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.35 -39.9 18.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.5 p -158.71 158.42 33.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' OH ' HD12 ' A' ' 45' ' ' ILE . 10.2 m-85 -109.66 163.45 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.13 135.76 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 84' ' ' VAL . 14.9 tp -109.3 124.4 50.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 72' ' ' MET . 25.2 p90 -130.73 145.45 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.7 t -155.83 145.21 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 28.6 mt -72.73 125.07 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CD2' HD11 ' A' ' 94' ' ' ILE . 30.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mpp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.8 mp -130.92 142.97 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' HD11 ' A' ' 77' ' ' ILE . 76.0 t -132.58 92.58 26.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 62.85 53.6 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.652 HD11 ' O ' ' A' ' 74' ' ' VAL . 25.5 mt -113.66 104.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -113.26 40.17 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.7 172.72 12.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -98.27 10.29 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -171.05 126.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.8 t80 -116.3 125.52 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -86.77 106.57 17.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.402 ' CG2' HD21 ' A' ' 50' ' ' LEU . 57.4 t -80.64 111.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -97.87 147.22 24.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.65 42.8 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 93' ' ' TYR . 17.0 mt -104.95 -178.59 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -106.86 142.06 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.66 136.27 35.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.32 46.25 87.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.9 m -141.77 146.4 35.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -73.61 133.95 43.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.528 ' CE2' HD22 ' A' ' 87' ' ' LEU . 12.2 m-85 -134.71 119.01 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 55' ' ' PHE . 30.5 mt -90.78 138.51 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.763 ' CD2' HG21 ' A' ' 35' ' ' VAL . 71.1 m-85 -123.97 137.78 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 110' ' ' PRO . 39.2 mt -143.96 107.13 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.493 HG21 ' CE3' ' A' ' 37' ' ' TRP . 74.2 t -83.73 140.91 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.538 ' O ' HD12 ' A' ' 100' ' ' ILE . 12.2 ttmt -127.05 118.8 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.561 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -87.71 110.74 20.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.2 mp -103.66 141.16 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -150.25 179.34 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -54.86 -26.6 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.77 -70.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.43 -137.07 2.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 p -147.11 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -131.96 111.1 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.25 126.41 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.2 t -78.82 178.56 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.35 150.84 82.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.486 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 116.45 4.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 96.1 m -97.85 106.51 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -75.9 122.41 24.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 95' ' ' PHE . 87.3 mt -125.7 160.99 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -135.09 131.56 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.911 HG23 HD11 ' A' ' 33' ' ' ILE . 13.0 p -82.32 172.74 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' HH21 ' A' ' 106' ' ' ARG . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.605 0.717 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.0 137.13 26.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.82 16.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.45 24.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -125.53 107.34 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.98 119.96 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -93.07 122.06 35.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.64 -33.72 25.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.86 -25.18 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -94.34 -27.08 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -71.65 144.43 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 33' ' ' ILE . 68.3 p -120.48 158.52 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -124.73 138.41 54.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 5.3 t -133.82 160.8 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 6.5 p-80 -37.91 -68.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 27.0 m-20 -120.03 38.03 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.599 ' CA ' HD12 ' A' ' 87' ' ' LEU . 4.7 m -160.41 155.16 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 115' ' ' THR . 87.1 mt -153.2 137.96 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -115.12 104.74 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.64 128.72 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.5 124.19 50.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.6 p90 -116.55 136.78 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 tp -108.01 132.56 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -128.86 139.34 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.64 -27.8 45.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -142.11 106.7 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.82 22.54 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.63 -42.12 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -75.33 -41.73 56.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -49.37 112.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -65.37 -36.33 83.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.7 p -167.13 156.89 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -101.12 155.51 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG3' HG23 ' A' ' 73' ' ' ILE . 3.2 tp10 -129.71 134.77 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -106.95 135.82 47.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -131.32 116.49 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 27.9 p90 -140.09 146.38 38.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -154.59 139.12 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.54 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 51.8 mt -59.3 107.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 15.0 ttm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.706 0.289 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.444 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.4 mp -144.15 138.76 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.555 ' O ' HD11 ' A' ' 77' ' ' ILE . 76.1 t -128.72 96.32 30.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.76 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 63.7 54.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 74' ' ' VAL . 59.0 mt -113.7 110.62 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -122.3 42.97 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 82' ' ' TYR . 13.1 pt20 -141.45 163.81 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.81 13.44 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -171.59 122.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.2 t80 -115.5 126.54 54.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.406 HG11 ' CE2' ' A' ' 52' ' ' TYR . 57.4 t -91.13 111.95 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -95.31 149.57 21.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.91 5.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.599 HD12 ' CA ' ' A' ' 32' ' ' THR . 45.6 mt -100.55 -174.88 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -110.1 136.06 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -73.21 134.46 44.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.23 60.35 8.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -151.64 144.6 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 111.157 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -71.86 146.69 47.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.54 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 8.8 m-85 -147.17 116.67 7.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.2 mt -91.58 118.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' A' ' 113' ' ' LEU . 75.0 m-85 -107.83 139.96 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 110' ' ' PRO . 21.3 mt -144.11 105.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.52 136.49 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' HE3' HD11 ' A' ' 100' ' ' ILE . 28.9 ttpt -132.05 113.48 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.49 144.95 41.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.414 HD11 ' HE3' ' A' ' 98' ' ' LYS . 17.8 mt -131.8 135.18 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -146.01 167.48 23.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -42.08 -38.88 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.65 -71.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.01 -135.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 m -155.43 152.09 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.569 HH21 ' HB3' ' A' ' 15' ' ' ALA . 5.5 tpp180 -135.15 125.89 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -95.08 134.83 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -85.71 177.11 7.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.01 151.45 86.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.1 Cg_endo -69.75 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.8 m -105.49 107.41 18.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -73.91 120.13 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' A' ' 95' ' ' PHE . 31.0 mt -127.98 160.99 30.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -135.6 150.06 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.725 HG23 HD11 ' A' ' 33' ' ' ILE . 24.1 p -95.59 167.59 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.523 0.677 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.76 147.47 62.91 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.33 137.48 93.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 124.97 11.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.585 ' HG3' HG12 ' A' ' 97' ' ' VAL . 54.2 Cg_endo -69.78 150.78 68.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.381 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.9 m -105.74 104.87 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.49 HD11 ' H ' ' A' ' 97' ' ' VAL . 64.4 mt -71.68 106.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -76.96 104.33 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' CG ' HG23 ' A' ' 111' ' ' THR . 59.5 mt-10 -69.66 -35.25 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.28 -35.86 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 mt -84.82 -23.61 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 m -57.92 159.55 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.8 p -142.94 140.65 31.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.827 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.16 138.63 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -129.63 164.35 24.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' CD2' ' CG ' ' A' ' 31' ' ' ASP . 24.4 p-80 -44.65 -58.31 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' CD2' ' A' ' 30' ' ' HIS . 31.9 p30 -127.15 35.12 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.422 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -157.91 153.78 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.864 HD11 HG23 ' A' ' 115' ' ' THR . 66.1 mt -152.98 129.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -113.18 118.78 35.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 ' CG ' ' A' ' 95' ' ' PHE . 53.1 t -101.39 136.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -113.93 123.47 49.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 27.3 p90 -118.99 133.74 55.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.2 tp -109.39 135.26 48.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -138.67 143.39 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -84.97 -41.2 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.98 94.09 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 21.06 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.88 -30.38 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -81.68 -41.02 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.548 HD13 ' HB1' ' A' ' 99' ' ' ALA . 74.6 mt -46.84 113.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 t -63.56 -31.72 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.3 p -172.31 158.67 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.27 163.78 12.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.641 ' CD ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -140.34 125.8 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 13.5 tp -101.62 118.21 36.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.448 ' CG ' ' OE1' ' A' ' 49' ' ' GLU . 69.2 mt-30 -111.91 114.0 26.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.499 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 10.2 p90 -128.86 158.1 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -162.49 146.99 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.532 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 37.1 mt -72.02 120.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CZ ' ' NH2' ' A' ' 112' ' ' ARG . 49.6 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.45 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.5 mpp? . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.641 HG23 ' CD ' ' A' ' 49' ' ' GLU . 5.3 mp -141.52 138.31 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.466 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 86.0 t -134.35 92.33 20.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.647 2.232 . . . . 0.0 112.394 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 63.39 46.53 4.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 74' ' ' VAL . 15.3 mt -109.44 100.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -110.26 37.38 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -133.38 174.85 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.436 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.7 m120 -96.47 -2.5 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -158.72 122.29 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 23.1 t80 -115.05 124.8 52.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -87.46 118.43 26.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.8 t -92.16 119.54 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -104.66 145.32 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.48 45.85 2.26 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 ' CE1' ' A' ' 93' ' ' TYR . 13.6 mt -111.19 177.28 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -103.32 140.56 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.59 144.49 37.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.89 43.37 99.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -141.53 144.58 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -71.77 150.01 44.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.609 ' CE1' HD22 ' A' ' 87' ' ' LEU . 13.3 m-85 -149.48 115.9 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 79.2 mt -90.35 143.91 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.794 ' CD2' HD12 ' A' ' 113' ' ' LEU . 97.6 m-85 -131.49 142.16 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.848 HG21 ' OD1' ' A' ' 107' ' ' ASN . 86.0 mt -145.11 108.77 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 19' ' ' PRO . 97.1 t -83.46 121.46 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -117.09 110.71 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.548 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -76.79 135.8 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -119.04 134.49 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 42.3 p30 -140.69 -175.36 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 102' ' ' GLN . 18.8 tp60 -57.76 -35.53 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 101' ' ' ASN . . . -69.58 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.23 -134.01 1.61 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 93.2 p -142.47 149.82 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -129.74 107.18 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.848 ' OD1' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -83.21 131.97 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.5 p -85.34 178.38 7.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.75 150.98 86.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.505 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.1 Cg_endo -69.81 116.74 4.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.53 HG23 ' CG ' ' A' ' 23' ' ' GLU . 52.0 m -96.41 107.71 20.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.411 ' NH2' ' CZ ' ' A' ' 55' ' ' PHE . 10.3 mmt85 -73.51 126.47 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.794 HD12 ' CD2' ' A' ' 95' ' ' PHE . 71.1 mt -135.93 146.97 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 17.1 mtpt -120.69 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.864 HG23 HD11 ' A' ' 33' ' ' ILE . 20.0 p -82.93 158.16 22.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 24.1 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -44.16 125.35 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -77.68 145.24 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 172.15 14.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -119.56 98.46 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -159.87 137.16 9.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 129.52 5.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.43 113.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.622 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -64.65 94.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.47 -24.15 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.655 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -80.59 137.99 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.713 ' O ' HD23 ' A' ' 13' ' ' LEU . 10.3 tt -121.82 -10.42 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.615 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -36.7 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.76 142.96 30.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.93 26.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -54.34 139.45 56.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 127.73 15.04 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 160.12 50.87 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.493 ' HB2' HG23 ' A' ' 38' ' ' ILE . 3.1 m -113.48 101.04 8.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.417 HD11 ' H ' ' A' ' 97' ' ' VAL . 93.2 mt -70.8 103.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -76.37 124.79 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -87.85 -23.18 24.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.92 -25.9 48.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.2 mt -91.73 -28.89 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.6 p -65.56 145.53 55.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 33' ' ' ILE . 81.7 p -121.69 156.56 32.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -126.37 126.29 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' HIS . 2.9 t -122.42 166.46 14.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.791 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 2.2 p-80 -34.66 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 11.3 p30 -121.06 34.64 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 HG21 ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -153.71 136.55 15.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.587 HD11 HG23 ' A' ' 115' ' ' THR . 71.7 mt -132.25 135.49 58.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -111.43 102.66 11.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -89.07 137.35 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -115.54 127.41 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.457 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 26.2 p90 -120.86 123.61 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.493 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.7 tp -101.42 136.04 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -135.22 151.18 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -91.61 -38.43 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -130.74 99.89 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -120.36 19.76 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -71.93 -40.56 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -71.83 -39.04 70.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 100' ' ' ILE . 60.3 mt -52.73 114.55 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -76.36 -26.36 55.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.1 p -171.51 152.4 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -100.9 156.44 17.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.975 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' CG ' HG23 ' A' ' 73' ' ' ILE . 28.7 tt0 -129.81 130.45 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 23.0 tp -104.43 129.05 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -126.69 114.36 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -127.51 153.7 46.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.681 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 13.6 t -158.07 147.46 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.526 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 94.8 mt -72.77 129.65 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.464 ' CD2' HD11 ' A' ' 94' ' ' ILE . 39.6 t80 -109.39 122.87 48.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.3 p -123.99 -49.2 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.63 42.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.4 tp-100 -45.73 153.79 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' GLN . . . -34.58 -47.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -158.15 132.25 8.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -42.25 -38.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 22.8 mm -58.9 -55.62 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -42.78 -62.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tp -55.77 -65.14 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.96 -27.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.45 -55.97 27.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.7 m -83.07 51.12 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 71' ' ' TRP . 2.6 p -48.17 -37.25 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -38.25 -33.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -70.51 -42.62 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.681 ' CZ2' HG21 ' A' ' 53' ' ' THR . 16.1 m95 -40.36 150.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -87.31 146.0 26.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.414 HG23 ' CG ' ' A' ' 49' ' ' GLU . 5.3 mp -136.02 139.28 46.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.722 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 70.4 t -131.87 89.65 38.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.676 0.75 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -166.56 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 59.71 40.43 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 74' ' ' VAL . 31.1 mt -104.75 107.63 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -116.67 36.28 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 18.9 pm0 -134.7 179.12 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.457 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.6 m120 -105.04 13.55 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -167.85 118.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.722 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.1 t80 -116.0 123.65 48.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.0 m -84.09 112.63 20.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.639 HG21 ' HE2' ' A' ' 95' ' ' PHE . 90.0 t -82.47 127.92 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' CE1' HG21 ' A' ' 32' ' ' THR . 18.7 m-70 -112.71 146.6 38.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.16 46.27 2.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 93' ' ' TYR . 20.5 mt -112.27 -179.68 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 110.95 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -116.22 139.49 50.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 p -61.44 140.82 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.16 61.54 6.13 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -146.93 143.28 28.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -73.61 146.86 44.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.526 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 13.6 m-85 -149.88 116.11 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 55' ' ' PHE . 55.1 mt -92.86 125.25 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.639 ' HE2' HG21 ' A' ' 84' ' ' VAL . 60.5 m-85 -111.34 144.72 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.524 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 36.5 mt -142.93 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.417 ' H ' HD11 ' A' ' 21' ' ' ILE . 71.4 t -86.47 121.92 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -115.03 109.17 17.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.58 138.21 46.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 45' ' ' ILE . 22.3 mt -125.9 133.51 68.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -137.42 -176.57 4.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -74.1 -72.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.76 -136.29 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.9 p -144.04 152.79 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -130.74 114.32 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -83.52 120.57 26.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.9 p -79.03 170.29 16.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.71 151.07 97.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.382 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.2 m -104.44 109.52 21.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.655 ' O ' HD23 ' A' ' 113' ' ' LEU . 31.7 mtm-85 -73.52 134.62 43.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' ARG . 67.3 mt -145.82 141.57 28.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -118.67 151.7 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.587 HG23 HD11 ' A' ' 33' ' ' ILE . 11.6 p -90.78 171.86 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 39.0 m-20 -83.72 155.09 23.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.7 m -45.74 -75.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -135.05 161.11 65.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.77 -177.02 1.68 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -63.34 133.68 54.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -85.52 133.41 34.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.6 m -109.27 95.91 5.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.03 -95.02 0.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 84.98 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.5 p -174.96 114.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.7 p -121.37 153.86 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -75.22 -60.82 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.856 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 72.1 m 34.86 41.94 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.59 -140.13 4.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -108.55 149.42 28.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -53.72 136.52 39.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 66.8 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -79.87 96.24 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.18 -115.43 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -103.11 122.71 45.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 11' ' ' ASP . 29.4 t0 -86.94 33.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.442 ' HD2' HG22 ' A' ' 14' ' ' THR . 0.8 OUTLIER -41.52 161.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 103' ' ' ALA . 9.2 tt -97.87 -44.86 6.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.55 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 5.7 t -30.28 -38.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.84 133.34 14.33 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.607 0.718 . . . . 0.0 111.082 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 132.79 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.364 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -51.89 140.86 29.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.743 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 124.83 11.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.394 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.71 141.64 45.98 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.355 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.85 107.4 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.56 110.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -76.86 103.84 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.47 -36.69 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -61.29 -35.17 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -85.78 -22.9 27.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.9 m -57.95 157.18 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -140.85 141.87 34.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.893 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.99 135.88 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.5 t -131.79 161.26 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.513 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 4.4 p-80 -35.59 -70.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 33.8 p30 -118.83 28.73 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -147.03 149.0 32.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.773 HD11 ' CG2' ' A' ' 115' ' ' THR . 63.3 mt -150.93 134.01 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 m -115.42 120.46 39.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.635 HG21 ' CG ' ' A' ' 95' ' ' PHE . 98.4 t -105.17 120.44 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 5.8 m170 -100.78 124.15 46.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -118.46 142.02 47.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 39' ' ' SER . 3.2 tp -113.38 141.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 38' ' ' ILE . 3.3 t -138.8 155.13 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.85 -32.32 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -133.69 99.01 4.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -111.58 -5.67 14.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -72.03 -24.86 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -88.62 -44.34 10.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.766 HD13 ' HB1' ' A' ' 99' ' ' ALA . 42.6 mt -49.21 118.68 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -62.96 -41.94 99.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -165.84 159.92 16.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.828 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.68 155.71 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 73' ' ' ILE . 4.5 tp10 -132.17 125.52 31.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 tp -92.64 149.19 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -145.72 114.06 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 30.3 p90 -137.47 165.43 26.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.3 t -168.43 147.29 4.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.554 HG22 HG23 ' A' ' 56' ' ' THR . 56.1 mt -71.25 114.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE2' ' NE2' ' A' ' 58' ' ' GLN . 30.5 t80 -90.92 111.64 23.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.554 HG23 HG22 ' A' ' 54' ' ' ILE . 39.3 p -123.88 171.62 9.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -41.22 115.53 0.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.556 ' NE2' ' CE2' ' A' ' 55' ' ' PHE . 12.3 pt20 -143.75 146.66 33.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.07 -60.13 3.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -134.27 146.1 49.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.474 ' HA ' ' NE2' ' A' ' 58' ' ' GLN . 38.5 t80 -63.82 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ASN . 11.4 mm -64.88 -49.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.7 t -45.32 -47.63 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.75 -47.0 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.21 -13.72 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' ILE . 27.7 m-20 -68.59 -29.85 68.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.24 52.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.582 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 2.8 t -47.29 -25.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -52.98 -15.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -85.87 -27.97 24.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 14.7 m95 -53.66 159.82 1.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -99.03 136.18 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.2 mp -123.84 144.25 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 82' ' ' TYR . 74.8 t -132.92 93.56 23.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.82 179.81 3.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 63.77 46.98 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.556 HD11 ' O ' ' A' ' 74' ' ' VAL . 29.6 mt -107.58 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -111.41 42.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.99 170.12 16.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -97.24 15.39 22.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -172.35 120.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.1 t80 -112.34 114.97 27.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.1 m -78.7 112.55 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.64 112.46 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -100.82 143.26 31.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.25 40.8 3.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 93' ' ' TYR . 41.2 mt -102.46 171.57 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.33 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.66 137.45 32.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 p -71.04 147.83 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.74 56.61 6.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.1 m -146.17 151.0 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.783 0.325 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -73.76 150.07 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.568 ' CE1' HD22 ' A' ' 87' ' ' LEU . 18.2 m-85 -153.7 119.69 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 95' ' ' PHE . 64.9 mt -94.81 155.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.878 ' CD2' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -141.24 143.4 34.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' ' 110' ' ' PRO . 54.5 mt -146.92 105.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.475 HG12 ' HG3' ' A' ' 19' ' ' PRO . 66.0 t -84.24 130.4 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' HD12 ' A' ' 100' ' ' ILE . 31.5 ttpt -123.06 114.48 20.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.89 131.3 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 98' ' ' LYS . 4.6 mp -121.06 145.28 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -151.12 -175.78 5.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.424 ' CD ' ' H ' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -58.75 -33.55 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.861 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -70.97 -57.33 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.47 -130.92 1.34 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.2 p -154.78 154.14 32.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 7.6 tpm_? -139.22 121.32 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -95.18 136.95 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -91.93 176.56 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.84 151.1 95.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.582 0.706 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.673 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 128.8 16.52 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.2 m -107.56 111.3 23.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -72.86 134.72 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.878 HD12 ' CD2' ' A' ' 95' ' ' PHE . 91.8 mt -141.88 140.99 33.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -121.73 140.66 52.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.893 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 47.4 p -86.4 175.24 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 117' ' ' SER . 90.0 m-20 -89.62 142.53 27.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 116' ' ' ASN . 29.6 t -33.96 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -135.12 161.67 62.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.569 0.699 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.513 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.81 -178.84 2.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.9 109.91 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -109.19 114.43 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.2 p -59.89 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -118.18 167.77 12.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.04 11.69 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 96.1 p -123.45 -50.54 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 83.7 p -116.28 116.21 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -129.38 106.9 9.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -80.43 -46.69 15.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.77 -127.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t 48.85 40.53 16.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -120.29 85.46 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.43 40.88 0.33 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -118.19 83.73 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.26 -127.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.456 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.671 HD13 ' HE2' ' A' ' 12' ' ' TYR . 11.4 mt -138.26 125.9 22.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.671 ' HE2' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -41.48 138.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 14' ' ' THR . 23.2 tp -121.5 -10.12 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.794 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -31.41 -48.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -125.19 144.21 46.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 106' ' ' ARG . 54.0 Cg_endo -69.79 123.49 10.14 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -40.42 134.32 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 125.57 12.31 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.6 67.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.7 m -113.15 100.0 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.5 mt -69.44 110.67 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -78.61 120.29 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.83 -13.95 46.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -84.95 -25.87 27.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.12 -26.45 15.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 p -69.78 129.47 39.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 p -103.13 167.15 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -134.98 135.27 41.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.7 m -137.84 155.45 48.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.8 p-80 -36.12 -68.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 32' ' ' THR . 17.6 t70 -116.14 39.11 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -161.55 148.49 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.691 HD11 ' CG2' ' A' ' 115' ' ' THR . 33.3 mt -156.73 126.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 m -105.31 119.2 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG21 ' CD2' ' A' ' 95' ' ' PHE . 98.4 t -106.38 116.64 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -99.09 123.74 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.799 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.6 p90 -116.21 137.38 52.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 20' ' ' SER . 3.2 tp -114.97 133.69 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.4 p -134.41 150.74 50.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -78.32 -29.57 47.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -133.93 100.39 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.65 21.23 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -98.26 -32.95 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 m -78.83 -40.76 31.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.757 HD13 ' HB1' ' A' ' 99' ' ' ALA . 29.8 mt -49.53 120.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -69.07 -41.42 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 p -161.97 161.55 28.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.502 ' OH ' HD12 ' A' ' 45' ' ' ILE . 10.3 m-85 -109.93 146.66 34.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -121.73 125.15 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 82' ' ' TYR . 16.4 tp -99.1 144.28 28.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -143.14 115.75 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -128.83 144.49 51.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.51 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 7.5 t -153.22 145.78 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.0 mt -68.67 134.1 30.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 94' ' ' ILE . 42.6 t80 -118.17 107.41 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.2 p -116.74 54.47 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 55.33 26.14 43.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.525 ' OE1' HD13 ' A' ' 64' ' ' LEU . 6.5 tt0 -51.55 164.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.91 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -49.78 -178.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 59' ' ' ALA . 23.9 m-80 -32.22 122.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 62' ' ' ILE . 56.5 t80 -48.36 -61.12 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.561 HG22 ' ND2' ' A' ' 66' ' ' ASN . 39.9 mm -33.19 -39.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 m -63.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.525 HD13 ' OE1' ' A' ' 58' ' ' GLN . 8.7 tp -51.35 -42.77 61.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -70.05 -32.62 70.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.561 ' ND2' HG22 ' A' ' 62' ' ' ILE . 30.7 m-20 -62.67 -29.13 70.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -108.39 77.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 68' ' ' VAL . 28.1 m -76.33 51.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -90.71 -30.27 17.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' TRP . 10.8 t -95.83 -39.37 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.51 ' CZ2' HG21 ' A' ' 53' ' ' THR . 38.7 m95 -34.7 137.45 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.1 mtm -97.15 134.69 40.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -122.31 145.65 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 65.0 t -134.37 92.11 21.33 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.9 Cg_endo -69.78 -177.24 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.736 2.29 . . . . 0.0 112.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.86 51.79 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.576 HD11 ' O ' ' A' ' 74' ' ' VAL . 37.6 mt -113.47 106.74 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -115.89 41.57 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -135.74 166.87 22.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.98 10.83 29.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -169.63 124.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.581 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 10.9 t80 -115.76 125.49 52.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -88.53 108.72 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.46 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -118.27 147.43 43.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 31' ' ' ASP . . . 94.3 46.9 2.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.593 HD22 ' CE2' ' A' ' 93' ' ' TYR . 48.6 mt -111.65 162.77 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -91.99 128.38 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.2 p -58.88 151.83 20.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 43.4 64.44 1.8 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -153.47 143.95 22.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -72.46 140.03 48.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.593 ' CE2' HD22 ' A' ' 87' ' ' LEU . 16.9 m-85 -142.4 123.13 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 55' ' ' PHE . 28.2 mt -92.95 138.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.759 ' CD1' HD12 ' A' ' 113' ' ' LEU . 87.0 m-85 -125.73 131.19 52.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' A' ' 110' ' ' PRO . 49.0 mt -134.91 105.7 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.431 HG21 ' CE3' ' A' ' 37' ' ' TRP . 51.9 t -84.56 127.76 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -115.55 110.35 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.757 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.88 125.56 30.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.0 mt -113.74 138.9 41.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.427 HD22 HD11 ' A' ' 13' ' ' LEU . 37.4 p-10 -143.62 -176.75 5.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.21 -31.79 65.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -73.6 -69.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -163.9 -142.18 3.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -134.18 151.03 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 16.7 tpt180 -133.92 106.73 7.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -80.89 123.89 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -79.45 178.58 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -74.66 150.55 86.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.8 Cg_endo -69.83 114.63 3.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 m -100.59 103.7 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -76.92 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.759 HD12 ' CD1' ' A' ' 95' ' ' PHE . 40.7 mt -132.06 169.08 16.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 114' ' ' LYS . 3.0 mtpm? -135.32 137.28 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.692 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 20.1 p -85.52 179.56 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' SER . 77.4 m-20 -93.51 142.47 27.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' ASN . 2.1 t -36.21 -71.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -135.54 162.5 56.8 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.75 -174.75 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.715 2.276 . . . . 0.0 112.369 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -64.4 112.84 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -119.99 156.93 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.0 t -94.59 124.24 38.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.33 -159.47 8.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -11.72 31.33 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.3 p -89.65 -44.31 10.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 -179.91 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -101.32 -55.87 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.914 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -46.64 136.16 8.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.03 -124.77 2.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -90.28 47.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -60.24 -51.78 68.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.9 148.48 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' GLY . 13.0 tp10 -141.33 126.86 18.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLU . . . -37.19 139.65 0.4 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.6 mt -114.6 -176.64 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -100.08 12.49 36.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -84.93 133.76 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 13' ' ' LEU . 4.1 tp -130.92 24.19 4.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.545 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -58.65 -55.56 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . -138.48 152.02 70.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.547 0.689 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 128.72 16.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -52.78 133.29 47.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.83 12.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 165.69 30.13 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.744 2.296 . . . . 0.0 112.32 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.681 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.4 m -123.2 105.48 9.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.63 109.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HE ' HG21 ' A' ' 38' ' ' ILE . 10.5 mmt85 -73.67 80.06 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 13.5 mp0 -53.38 -28.48 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -66.71 -36.83 83.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -86.02 -24.87 26.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.2 m -51.42 144.79 9.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.8 p -130.86 139.15 50.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -115.19 136.58 52.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' HIS . 12.6 m -131.14 166.44 21.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.7 p-80 -35.81 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.501 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 54.7 p30 -121.81 38.75 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.67 148.11 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.547 HD12 HD13 ' A' ' 87' ' ' LEU . 85.5 mt -146.8 127.72 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 m -109.14 108.31 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG21 ' CD2' ' A' ' 95' ' ' PHE . 51.2 t -94.68 127.28 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -106.81 124.62 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.461 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 24.2 p90 -115.49 142.34 46.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 20' ' ' SER . 2.9 tp -116.7 135.24 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 t -135.27 148.33 49.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 19.0 p-10 -79.54 -34.7 40.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' ASP . 9.5 m-20 -143.04 105.2 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.97 22.4 12.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -82.93 -38.58 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.6 m -76.48 -41.78 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.454 HD13 ' HB1' ' A' ' 99' ' ' ALA . 60.2 mt -47.52 114.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -58.99 -35.41 73.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.2 p -171.57 163.27 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.71 156.93 17.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.08 149.12 51.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 12.5 tp -126.32 134.55 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -125.59 114.11 18.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -124.85 144.89 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.463 HG21 ' CE2' ' A' ' 71' ' ' TRP . 7.8 t -161.63 140.77 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.37 125.63 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -97.66 123.53 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -141.21 -178.16 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.0 39.87 3.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.803 ' OE1' HD13 ' A' ' 64' ' ' LEU . 8.9 pt20 -67.49 -46.16 73.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -172.96 174.24 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -44.86 133.08 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -45.35 -45.55 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -59.71 -52.23 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.0 m -47.97 -55.39 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.803 HD13 ' OE1' ' A' ' 58' ' ' GLN . 9.2 tp -62.44 -56.53 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -52.62 -26.98 15.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -64.4 -34.65 78.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.7 m -107.18 89.36 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 68' ' ' VAL . 23.7 m -81.61 42.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.48 -32.47 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' TRP . 47.9 t -88.23 -40.98 13.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CE2' HG21 ' A' ' 53' ' ' THR . 40.0 m95 -36.32 143.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.3 mtm -105.09 142.42 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.83 148.03 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 77.9 t -134.43 89.99 25.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 60.2 47.95 8.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.566 HD11 ' O ' ' A' ' 74' ' ' VAL . 19.5 mt -114.9 114.65 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -126.77 35.3 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -128.07 177.43 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.461 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 7.3 m120 -102.7 13.85 33.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -171.6 123.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 13.6 t80 -121.14 123.18 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.1 m -83.1 113.97 20.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.5 t -88.13 129.65 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -113.89 150.01 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 52.19 2.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.721 HD22 ' CE2' ' A' ' 93' ' ' TYR . 15.4 mt -120.75 169.16 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -94.02 155.62 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 90' ' ' GLY . 86.6 p -80.11 155.33 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 89' ' ' SER . . . 35.73 60.88 0.78 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.8 m -143.59 147.25 34.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -76.18 132.08 39.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.721 ' CE2' HD22 ' A' ' 87' ' ' LEU . 11.2 m-85 -132.81 120.45 21.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.1 mt -91.57 143.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.164 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CD2' HG21 ' A' ' 35' ' ' VAL . 90.2 m-85 -132.97 135.91 45.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.808 HG21 ' ND2' ' A' ' 107' ' ' ASN . 60.7 mt -139.02 107.63 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.0 t -82.98 118.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -109.18 110.16 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -74.23 124.71 26.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 mt -112.32 130.44 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.532 HD21 ' HB3' ' A' ' 103' ' ' ALA . 26.7 p-10 -144.58 175.89 9.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -53.09 -33.86 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -68.28 -53.6 23.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 176.13 -135.74 3.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.4 p -145.49 152.24 39.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -138.68 117.28 12.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.808 ' ND2' HG21 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -85.73 121.34 28.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 t -77.82 175.3 10.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.79 148.14 98.52 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.75 124.93 11.57 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.1 m -109.22 100.24 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -75.19 138.17 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.555 HD12 ' CD1' ' A' ' 95' ' ' PHE . 35.0 mt -136.02 171.62 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 14.9 mtpp -140.73 135.21 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.738 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 26.5 p -86.22 179.9 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -112.2 171.65 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.4 t -53.19 174.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -77.27 154.71 82.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.43 ' HD3' ' CB ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.74 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.719 2.28 . . . . 0.0 112.306 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -71.39 122.77 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -68.36 141.91 55.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.2 t -175.03 141.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -138.18 -117.11 1.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 146.18 59.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 92.7 p -107.51 165.77 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.8 t -47.81 153.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 p -125.33 177.8 5.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -45.18 169.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 -68.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -136.53 177.59 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -113.88 -58.61 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.14 100.23 1.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -145.7 148.84 33.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.01 178.81 44.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.407 HD12 ' ND2' ' A' ' 17' ' ' ASN . 7.5 mt -92.22 116.17 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -46.98 -38.58 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -70.12 142.43 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.829 ' O ' HD23 ' A' ' 13' ' ' LEU . 8.4 tt -128.53 -6.2 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 t -38.92 -25.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -146.93 141.82 16.42 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.539 0.685 . . . . 0.0 111.112 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' ND2' HD12 ' A' ' 10' ' ' LEU . 4.6 m120 -54.96 138.51 64.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 128.14 15.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.5 Cg_endo -69.77 146.44 60.16 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.665 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.5 m -110.18 108.59 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.32 123.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -91.47 97.47 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.06 -21.17 66.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -80.75 -24.81 38.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.03 -30.11 14.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 p -62.2 143.66 56.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 33' ' ' ILE . 31.0 p -120.31 157.71 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.63 132.04 46.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.6 m -129.82 167.15 18.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.531 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 7.9 p-80 -39.3 -68.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' THR . 69.7 m-20 -122.65 41.52 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -162.14 144.04 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.154 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.494 HD11 ' CG2' ' A' ' 115' ' ' THR . 12.1 mt -144.13 133.62 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -111.15 102.21 10.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 95' ' ' PHE . 57.7 t -87.71 111.12 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -92.97 119.45 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 35' ' ' VAL . 37.0 p90 -119.06 145.75 45.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.759 HD13 ' C ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -99.84 147.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' HD13 ' A' ' 38' ' ' ILE . 0.8 OUTLIER -129.56 116.76 19.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -71.24 -42.08 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -142.57 106.37 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 45' ' ' ILE . 12.0 pt-20 -100.62 -26.83 13.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -39.04 -32.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -88.86 -38.35 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' GLU . 53.0 mt -62.14 125.51 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 t -81.46 -32.42 32.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.4 p -172.78 160.54 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -108.55 152.94 24.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.29 126.9 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 16.2 tp -97.2 123.76 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -123.74 115.54 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 72' ' ' MET . 7.7 p90 -133.68 161.16 35.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.572 HG21 ' CE2' ' A' ' 71' ' ' TRP . 11.6 t -163.88 144.47 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.539 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 40.2 mt -67.23 121.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -104.47 104.89 14.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.464 HG23 HG22 ' A' ' 54' ' ' ILE . 70.7 p -105.56 50.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 33.99 85.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' NE2' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -94.3 164.25 13.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.97 -35.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' CG1' ' A' ' 62' ' ' ILE . 13.2 t-20 -161.08 129.8 4.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -46.59 -27.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.487 ' CG1' ' OD1' ' A' ' 60' ' ' ASN . 14.8 mm -64.91 -48.75 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 t -50.11 -39.3 42.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.406 HD13 ' NE2' ' A' ' 58' ' ' GLN . 10.5 tp -80.36 -44.78 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.729 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.5 t80 -67.18 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.418 ' OD1' HG22 ' A' ' 62' ' ' ILE . 3.7 m120 -59.85 -40.4 88.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.8 m -100.28 56.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' TYR . 3.7 t -57.29 -32.27 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.93 -16.1 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -85.62 -30.98 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.774 ' CZ3' HD12 ' A' ' 96' ' ' ILE . 13.1 m95 -46.52 157.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 2.5 mpp? -94.65 137.67 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 73' ' ' ILE . 5.2 mp -125.5 141.86 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 97.1 t -134.62 92.82 19.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.83 -177.41 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 63.22 50.14 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.918 HG23 ' NE2' ' A' ' 79' ' ' GLN . 23.8 mt -112.67 107.68 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -118.69 40.99 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.918 ' NE2' HG23 ' A' ' 77' ' ' ILE . 11.0 pm0 -139.46 177.31 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.418 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 4.2 m120 -102.94 15.9 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -172.57 123.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.1 t80 -119.43 126.09 50.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.1 m -85.38 106.33 16.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.47 127.86 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -109.5 144.16 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.33 49.24 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.1 mt -109.27 177.47 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.788 0.328 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -106.39 145.25 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 p -74.71 147.59 41.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.75 63.61 2.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.8 m -153.0 144.16 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -72.04 145.98 47.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.539 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 21.7 m-85 -146.69 116.01 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 89.6 mt -90.43 137.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.957 ' CD1' HD12 ' A' ' 113' ' ' LEU . 94.4 m-85 -121.88 139.82 53.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.774 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 22.3 mt -141.7 106.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.428 HG12 ' HG3' ' A' ' 19' ' ' PRO . 72.2 t -82.81 142.08 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -127.0 118.47 24.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -87.25 109.28 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.2 mt -105.39 139.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 45.3 p30 -144.85 -178.09 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -54.25 -36.37 63.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.949 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.557 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -69.35 -73.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -155.71 -135.26 1.97 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 p -144.97 154.11 42.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -141.75 108.24 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.78 135.87 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 t -88.26 176.18 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.98 151.24 96.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.6 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.4 Cg_endo -69.78 122.7 9.36 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.322 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.3 m -103.21 111.02 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.634 ' O ' HD23 ' A' ' 113' ' ' LEU . 9.5 mmm-85 -73.95 141.88 45.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.957 HD12 ' CD1' ' A' ' 95' ' ' PHE . 55.3 mt -147.75 158.98 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -135.98 142.58 44.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.586 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 42.8 p -89.74 176.65 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 117' ' ' SER . 87.9 m-20 -85.22 135.55 33.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 116' ' ' ASN . 8.4 m -34.69 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.479 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 7.0 tt0 -135.11 140.68 35.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.531 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.3 Cg_endo -69.74 0.35 5.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.81 157.06 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.68 126.85 53.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -109.54 166.14 11.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -141.13 71.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.81 2.86 3.17 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.682 2.254 . . . . 0.0 112.32 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 124' ' ' PRO . 52.1 m -34.07 129.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 82.9 p -57.88 97.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -60.92 173.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -79.68 140.58 36.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.25 102.77 2.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -61.32 159.0 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t 43.64 40.94 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.23 123.18 5.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -87.28 142.52 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.78 150.27 18.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.578 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -78.12 110.08 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.29 42.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.631 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -95.18 137.79 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 103' ' ' ALA . 18.2 tp -127.21 -6.82 5.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -33.05 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -146.84 143.11 17.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 124.67 11.33 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -49.9 138.88 17.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 131.1 20.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.73 163.18 39.22 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.731 2.287 . . . . 0.0 112.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -118.96 103.88 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.4 mt -74.47 107.68 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.548 ' HG3' HD12 ' A' ' 25' ' ' LEU . 10.6 mmm180 -74.46 124.27 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -88.07 -20.25 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.07 -27.88 27.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' HG3' ' A' ' 22' ' ' ARG . 66.8 mt -89.83 -29.52 18.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.3 p -63.73 138.19 58.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' ILE . 60.8 p -118.03 149.05 41.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -118.6 132.75 56.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -124.66 167.36 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.6 p-80 -38.35 -71.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.515 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 30.8 p30 -116.71 12.71 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.457 ' O ' ' CG1' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -129.29 161.47 30.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.653 HD11 HG23 ' A' ' 115' ' ' THR . 25.1 mt -159.4 134.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -114.2 107.7 15.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.176 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 95' ' ' PHE . 87.5 t -93.47 130.51 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -109.4 123.34 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.444 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 28.6 p90 -118.33 142.96 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -123.18 133.24 69.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.9 t -139.29 159.33 42.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.92 -24.95 13.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -102.99 31.56 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.31 4.37 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -85.36 -31.89 22.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.8 m -90.82 -43.37 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.52 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.1 mt -39.27 132.98 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 m -79.49 -45.58 19.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.8 p -156.58 156.69 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.3 151.43 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -124.26 129.42 50.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 82' ' ' TYR . 16.2 tp -107.55 125.89 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.717 ' HG2' HD12 ' A' ' 73' ' ' ILE . 30.2 mt-30 -117.29 126.85 53.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -137.73 145.82 42.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.716 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 11.7 t -155.61 152.5 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.578 HG22 HG23 ' A' ' 56' ' ' THR . 22.3 mt -79.55 110.18 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -83.86 106.81 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.578 HG23 HG22 ' A' ' 54' ' ' ILE . 17.2 p -124.78 177.89 5.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.1 51.18 2.49 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -91.65 -42.63 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -162.51 148.39 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p-10 -34.5 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -40.41 -40.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG22 ' OD1' ' A' ' 66' ' ' ASN . 12.6 mm -60.96 -49.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 m -50.36 -46.04 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 tp -71.5 -47.03 58.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.14 -24.38 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.517 ' OD1' HG22 ' A' ' 62' ' ' ILE . 7.2 m120 -62.68 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 m -95.18 45.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 9.3 p -48.1 -19.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.71 -20.55 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.5 m -87.95 -37.09 16.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.716 ' CZ2' HG21 ' A' ' 53' ' ' THR . 12.0 m95 -40.31 146.4 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.572 ' C ' HD13 ' A' ' 73' ' ' ILE . 12.0 mtm -96.78 125.69 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.717 HD12 ' HG2' ' A' ' 51' ' ' GLN . 5.3 mm -114.22 158.74 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.782 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 94.3 t -134.9 90.42 22.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.728 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 175.81 7.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.243 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 63.7 53.08 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.587 HD11 ' O ' ' A' ' 74' ' ' VAL . 30.9 mt -112.68 106.84 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -114.77 42.97 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -140.44 171.52 14.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.444 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 2.4 m120 -98.36 6.54 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -161.53 122.74 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.782 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 5.0 t80 -120.45 118.76 31.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 m -81.62 114.09 20.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.9 131.57 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.453 ' CD2' HG22 ' A' ' 32' ' ' THR . 13.7 m170 -114.03 151.99 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.06 42.45 4.98 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.602 HD22 ' CE1' ' A' ' 93' ' ' TYR . 66.4 mt -108.1 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -107.06 146.02 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 78.4 p -74.09 157.61 35.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.29 40.89 2.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.5 m -130.62 141.71 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -71.89 148.73 45.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.602 ' CE1' HD22 ' A' ' 87' ' ' LEU . 20.8 m-85 -151.52 116.85 5.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 47.0 mt -89.86 140.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' A' ' 113' ' ' LEU . 54.3 m-85 -124.96 134.25 52.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 110' ' ' PRO . 57.3 mt -138.28 107.9 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.432 HG12 ' HG3' ' A' ' 19' ' ' PRO . 53.6 t -83.15 126.43 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.56 ' O ' HD12 ' A' ' 100' ' ' ILE . 25.7 ttpt -115.42 108.85 17.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -80.73 127.91 33.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.3 mp -118.36 133.15 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.425 ' ND2' HD11 ' A' ' 13' ' ' LEU . 41.2 p-10 -138.63 -174.96 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -58.57 -35.43 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.538 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . . . -69.84 -59.54 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -175.05 -137.79 2.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 t -144.43 154.85 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.47 113.07 8.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.4 126.1 30.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.2 p -81.72 177.2 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.99 149.14 87.39 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.2 Cg_endo -69.84 117.49 5.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.7 m -96.24 110.1 22.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.53 ' O ' HD23 ' A' ' 113' ' ' LEU . 17.8 mmm-85 -72.86 129.91 39.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' A' ' 95' ' ' PHE . 71.9 mt -142.36 142.62 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -121.8 148.58 44.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.653 HG23 HD11 ' A' ' 33' ' ' ILE . 18.7 p -91.21 170.22 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.6 171.03 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.7 t -52.28 -178.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 29.3 tt0 -81.18 139.49 48.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.598 0.714 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 118' ' ' GLN . 54.1 Cg_endo -69.7 -172.63 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.656 2.238 . . . . 0.0 112.396 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -77.29 121.75 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -97.74 152.18 19.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.5 t -168.56 165.33 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -76.2 -166.72 22.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.748 2.298 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.6 p -167.66 133.82 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.0 m 60.31 42.0 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t -166.54 134.31 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -80.47 155.26 27.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.15 70.3 0.52 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -126.98 35.49 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 m -152.39 -179.09 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -177.78 71.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER 31.83 40.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.38 . . . . 0.0 110.898 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . 99.76 -103.47 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.6 mm? -111.89 135.52 52.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.8 42.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' HB3' HG22 ' A' ' 14' ' ' THR . 0.4 OUTLIER -47.54 170.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.678 HD23 ' HB2' ' A' ' 103' ' ' ALA . 10.1 tt -88.62 -38.08 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.691 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 14.7 t -33.08 -36.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -141.71 136.18 15.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.05 49.69 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -60.43 141.94 91.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.64 9.31 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 148.27 64.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.2 m -106.29 117.7 34.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.7 mt -79.64 117.11 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.588 ' HG3' HD12 ' A' ' 25' ' ' LEU . 40.6 mmm-85 -86.19 123.22 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -88.02 -20.59 25.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -81.74 -20.33 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD12 ' HG3' ' A' ' 22' ' ' ARG . 16.0 mt -99.25 -24.91 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 p -75.03 134.8 41.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.8 p -105.73 158.96 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.18 133.81 50.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 30' ' ' HIS . 1.2 t -132.64 158.07 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.513 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 2.1 p-80 -33.21 -69.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 40.4 p30 -119.3 44.2 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 ' CG2' HG22 ' A' ' 83' ' ' THR . 0.7 OUTLIER -161.5 154.97 21.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.59 HD11 HG23 ' A' ' 115' ' ' THR . 30.6 mt -156.66 129.76 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 m -109.51 105.41 14.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 95' ' ' PHE . 61.1 t -91.38 131.22 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -110.9 121.25 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.499 ' CE3' HG21 ' A' ' 97' ' ' VAL . 19.6 p90 -109.38 141.53 41.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 20' ' ' SER . 3.7 tp -118.98 137.15 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.3 p -136.19 157.22 47.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.56 -29.26 24.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.58 105.12 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -119.68 21.81 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -90.1 -39.35 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -74.92 -43.62 53.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 100' ' ' ILE . 62.6 mt -45.06 127.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -78.78 -41.11 31.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 57.1 p -162.19 154.73 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.9 m-85 -102.24 156.89 17.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.16 126.22 40.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.2 148.62 23.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -147.34 114.44 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.483 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 13.1 p90 -129.72 150.0 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.704 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 8.4 t -156.28 156.04 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.9 mt -79.87 124.33 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.668 ' CD1' HD11 ' A' ' 94' ' ' ILE . 74.9 t80 -104.26 105.37 15.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLY . 2.7 t -142.63 158.2 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' THR . . . -35.17 125.81 0.65 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.47 ' HG2' ' N ' ' A' ' 59' ' ' ALA . 18.2 tt0 -155.7 157.58 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' N ' ' HG2' ' A' ' 58' ' ' GLN . . . -33.96 -46.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' ND2' ' HB ' ' A' ' 62' ' ' ILE . 19.1 t30 -174.15 134.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -47.99 -40.65 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.401 ' HB ' ' ND2' ' A' ' 60' ' ' ASN . 23.6 mm -59.27 -46.53 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -44.57 -46.56 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tp -76.58 -60.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -44.77 -30.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.58 -47.96 81.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -88.36 47.42 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' TRP . 3.6 p -45.27 -33.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -39.5 -30.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -75.2 -40.44 59.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.704 ' CZ2' HG21 ' A' ' 53' ' ' THR . 11.4 m95 -40.98 151.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -91.39 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.27 142.69 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.69 HG11 ' CE2' ' A' ' 82' ' ' TYR . 82.5 t -131.42 94.68 25.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.73 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 10.9 p30 48.34 49.43 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.898 HG23 ' NE2' ' A' ' 79' ' ' GLN . 22.7 mt -104.93 107.64 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -115.3 42.13 2.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.898 ' NE2' HG23 ' A' ' 77' ' ' ILE . 14.7 pm0 -140.16 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.482 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -104.83 14.14 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -172.54 122.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.69 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.5 t80 -112.53 120.23 40.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.404 HG22 ' CG2' ' A' ' 32' ' ' THR . 7.2 m -84.01 110.94 18.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.405 HG21 ' HE2' ' A' ' 95' ' ' PHE . 45.9 t -85.54 104.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -96.21 133.01 41.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.93 34.35 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' CD1' HG13 ' A' ' 33' ' ' ILE . 38.9 mt -94.65 -175.33 3.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -112.51 139.97 47.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.4 p -63.49 148.62 48.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 41.7 60.05 2.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -144.45 137.07 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.121 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -71.92 143.45 49.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.412 ' CE1' HD22 ' A' ' 87' ' ' LEU . 21.3 m-85 -144.64 118.23 9.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.668 HD11 ' CD1' ' A' ' 55' ' ' PHE . 91.2 mt -94.44 127.29 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 113' ' ' LEU . 92.7 m-85 -111.5 146.35 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.596 HD11 ' HB3' ' A' ' 110' ' ' PRO . 64.6 mt -147.1 107.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.499 HG21 ' CE3' ' A' ' 37' ' ' TRP . 66.2 t -89.42 132.96 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -128.78 111.66 13.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -72.89 146.21 46.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.9 mt -132.88 143.59 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -150.43 -178.42 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -56.36 -27.17 55.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.691 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -78.74 -71.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.21 -139.81 2.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.5 p -150.88 149.72 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -130.96 115.73 16.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -84.03 131.83 34.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -84.48 176.33 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -74.49 151.06 87.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.623 0.725 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.596 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.3 Cg_endo -69.74 129.35 17.47 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.0 m -113.7 106.32 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.485 ' CG ' HG12 ' A' ' 94' ' ' ILE . 12.4 mtt85 -73.85 123.13 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 95' ' ' PHE . 54.9 mt -131.95 144.7 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.9 149.91 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.59 HG23 HD11 ' A' ' 33' ' ' ILE . 19.0 p -93.41 160.95 14.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -60.61 131.3 50.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.8 m -38.04 -72.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.476 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 3.9 tt0 -135.52 141.6 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.513 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.76 -0.03 6.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.91 139.29 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -86.09 123.16 31.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.2 t -117.84 40.05 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.37 67.21 1.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 117.77 5.28 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.361 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -61.66 132.49 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.7 m -108.49 140.33 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -113.85 42.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.905 0.383 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -38.56 -50.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.36 -147.93 19.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -71.06 81.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -63.52 -36.07 82.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.22 -150.07 18.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -158.25 114.4 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.543 ' C ' HD22 ' A' ' 10' ' ' LEU . . . -74.65 -175.36 34.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.543 HD22 ' C ' ' A' ' 9' ' ' GLY . 4.2 mm? -119.71 -176.36 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.971 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -84.14 31.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.665 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -104.61 135.65 45.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.882 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.1 tt -127.95 -7.59 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 1.6 t -37.42 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -143.37 141.29 18.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 111.071 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.75 129.75 18.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.392 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -47.66 134.2 10.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 53.5 Cg_endo -69.73 123.33 10.01 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 18' ' ' PRO . 54.1 Cg_endo -69.78 146.17 59.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.655 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.1 m -107.23 107.34 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.69 114.84 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -84.28 105.19 14.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.69 -37.16 76.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 25' ' ' LEU . 10.0 pt-20 -58.19 -37.51 74.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 16.7 mt -84.28 -27.35 27.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.7 m -54.34 160.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 48.9 p -146.34 137.3 24.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -113.63 137.87 50.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -129.49 167.08 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.512 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 13.8 p-80 -42.2 -64.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 1.4 m-20 -124.71 35.66 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 83' ' ' THR . 2.9 m -156.34 154.74 31.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.652 HD11 ' CG2' ' A' ' 115' ' ' THR . 73.4 mt -154.68 131.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.42 ' OG1' HG23 ' A' ' 83' ' ' THR . 99.0 m -113.93 113.42 24.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 95' ' ' PHE . 58.2 t -98.33 130.29 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' A' ' 34' ' ' THR . 7.8 m170 -108.18 125.04 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.479 ' NE1' ' HA ' ' A' ' 80' ' ' ASN . 23.4 p90 -115.72 139.17 50.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 20' ' ' SER . 3.3 tp -107.6 139.42 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.412 ' N ' HG13 ' A' ' 38' ' ' ILE . 15.2 p -138.44 149.01 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -77.45 -31.81 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' OD2' ' CE2' ' A' ' 43' ' ' PHE . 1.1 m-20 -156.38 110.05 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -109.6 22.14 16.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CE2' ' OD2' ' A' ' 41' ' ' ASP . 1.8 m-85 -81.66 -41.96 20.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 m -74.61 -36.93 62.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.05 122.38 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -65.49 -43.15 91.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.7 p -169.09 161.06 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.41 154.66 19.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' CG2' ' A' ' 73' ' ' ILE . 10.7 tt0 -124.74 131.61 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 82' ' ' TYR . 14.7 tp -107.66 120.34 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.994 ' HG2' HD12 ' A' ' 73' ' ' ILE . 54.8 mt-30 -115.51 119.61 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -131.2 147.64 52.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.621 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 15.3 t -155.12 146.32 22.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.172 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 53.1 mt -75.14 122.04 27.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.482 ' CD2' HD11 ' A' ' 94' ' ' ILE . 25.4 t80 -106.95 104.83 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.9 p -109.12 78.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 33.54 44.29 0.29 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 59' ' ' ALA . 15.9 mm-40 -56.99 136.07 56.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' GLN . . . -34.38 -47.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -150.35 139.11 20.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -62.1 -28.28 69.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 28.8 mm -68.54 -50.08 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 43.6 t -46.69 -47.29 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.25 -51.64 20.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -56.05 -23.55 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.28 -39.31 94.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -98.03 44.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.546 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 5.3 p -49.65 -19.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -22.95 6.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' TRP . 11.3 t -88.39 -36.18 16.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.621 ' CZ2' HG21 ' A' ' 53' ' ' THR . 9.7 m95 -38.24 146.76 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.509 ' C ' HD13 ' A' ' 73' ' ' ILE . 11.3 mtm -99.65 125.61 45.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.994 HD12 ' HG2' ' A' ' 51' ' ' GLN . 8.2 mm -113.34 161.0 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.764 HG11 ' CE2' ' A' ' 82' ' ' TYR . 97.9 t -135.0 88.72 26.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.12 7.18 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 62.96 54.75 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.542 HD11 ' O ' ' A' ' 74' ' ' VAL . 47.6 mt -112.53 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -118.82 41.61 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -138.8 173.13 11.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.479 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.0 m120 -99.71 12.77 35.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -171.86 121.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.764 ' CE2' HG11 ' A' ' 74' ' ' VAL . 5.2 t80 -112.43 123.92 51.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.427 HG22 ' CG2' ' A' ' 32' ' ' THR . 10.6 m -89.45 107.74 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.0 t -83.52 111.62 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -99.71 149.67 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.79 39.89 4.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 93' ' ' TYR . 45.3 mt -103.7 -179.99 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -99.77 148.88 23.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.4 p -81.21 141.82 33.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.79 57.2 16.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.9 m -147.72 141.98 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 111.161 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.432 ' HG2' ' CG ' ' A' ' 114' ' ' LYS . 32.5 mtt180 -71.92 140.79 49.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.615 ' CE2' HD22 ' A' ' 87' ' ' LEU . 17.1 m-85 -140.83 119.19 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 55' ' ' PHE . 66.8 mt -89.92 139.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' CD1' HD12 ' A' ' 113' ' ' LEU . 97.4 m-85 -129.11 134.62 48.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.564 HD11 ' HB3' ' A' ' 110' ' ' PRO . 46.1 mt -136.28 109.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.427 HG21 ' CE3' ' A' ' 37' ' ' TRP . 57.8 t -82.98 135.46 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' HD3' ' CG1' ' A' ' 100' ' ' ILE . 13.9 ttmt -123.48 129.46 51.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -99.56 111.22 23.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CG1' ' HD3' ' A' ' 98' ' ' LYS . 12.7 mt -106.29 130.54 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -136.51 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -54.49 -38.1 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.82 -72.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -158.28 -139.7 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 p -140.78 153.89 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -138.28 105.08 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -79.68 130.84 35.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.5 p -83.52 175.03 10.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.81 150.81 93.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.564 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.7 Cg_endo -69.77 119.77 6.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.7 m -99.92 105.75 17.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -72.99 127.05 31.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.61 HD12 ' CD1' ' A' ' 95' ' ' PHE . 89.3 mt -132.33 158.7 41.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 92' ' ' ARG . 28.7 mtpt -132.25 138.99 48.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.816 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 35.3 p -85.41 173.84 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -86.8 152.0 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 p -44.72 -69.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -135.99 163.03 53.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.73 -7.86 22.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -112.33 137.5 50.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -77.63 142.88 38.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 99.6 p -84.6 -38.87 19.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.78 81.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -44.04 2.3 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.3 m -73.0 126.84 30.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.1 p -42.29 -48.04 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.482 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 t -41.92 -45.19 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -136.6 163.73 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.61 41.09 44.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -109.31 112.67 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 t -127.26 -46.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.66 -81.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -76.14 137.73 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' LEU . . . -134.21 -117.43 1.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLY . 87.2 mt -37.16 104.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.5 -40.82 80.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -46.76 140.41 4.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.518 HD11 ' ND2' ' A' ' 101' ' ' ASN . 22.7 tp -124.97 -10.02 7.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -35.37 -30.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.15 137.87 18.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 111.1 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' O ' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.7 122.83 9.52 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.751 2.301 . . . . 0.0 112.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -41.07 135.83 1.68 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.22 20.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.94 20.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.67 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.7 m -122.27 100.45 6.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.17 101.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.628 ' HG3' HD12 ' A' ' 25' ' ' LEU . 34.6 mmm-85 -71.36 125.31 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -88.07 -25.89 22.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -79.19 -20.52 48.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 ' HG3' ' A' ' 22' ' ' ARG . 44.2 mt -96.77 -26.11 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 p -74.97 139.18 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.2 p -114.81 162.63 16.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.62 135.23 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.2 m -129.25 166.01 20.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.522 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 16.1 p-80 -43.51 -61.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -124.93 39.48 3.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -160.93 153.45 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.603 HD11 ' CG2' ' A' ' 115' ' ' THR . 65.9 mt -153.63 135.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.5 m -111.75 108.8 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.545 HG21 ' CG ' ' A' ' 95' ' ' PHE . 66.9 t -93.15 125.98 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -107.82 127.33 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 97' ' ' VAL . 26.4 p90 -122.84 148.9 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.67 HG23 ' HB2' ' A' ' 20' ' ' SER . 3.8 tt -128.34 147.97 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -139.16 154.57 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.69 -36.79 25.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -134.91 99.66 4.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.9 -25.33 16.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -45.76 -38.26 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -71.21 -40.85 70.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 100' ' ' ILE . 41.0 mt -65.23 116.62 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -79.1 -24.84 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.404 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 23.9 p -166.75 155.08 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -108.29 153.15 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' HG23 ' A' ' 73' ' ' ILE . 13.2 tt0 -127.25 130.38 49.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 14.7 tp -98.17 150.19 21.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -148.22 114.35 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 19.4 p90 -132.19 153.77 50.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.55 HG21 ' CE2' ' A' ' 71' ' ' TRP . 15.0 t -158.61 140.37 13.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.542 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 58.7 mt -70.19 116.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CD2' HD11 ' A' ' 94' ' ' ILE . 32.3 t80 -92.43 118.94 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.438 HG23 HG22 ' A' ' 54' ' ' ILE . 71.9 p -125.51 169.64 12.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.77 89.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 59' ' ' ALA . 6.5 tt0 -129.59 168.27 16.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.879 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -49.12 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 61' ' ' PHE . 3.0 m120 -34.86 126.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 60' ' ' ASN . 26.3 t80 -34.36 -50.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' ASN . 43.3 mm -36.81 -47.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -48.95 -45.53 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 61' ' ' PHE . 24.3 tp -77.89 -51.01 11.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 68' ' ' VAL . 6.8 t80 -61.99 -17.26 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' ILE . 30.8 m-20 -62.92 -47.19 84.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.4 m -95.23 54.28 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 65' ' ' TYR . 54.6 t -52.95 -33.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -41.74 -29.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 m -72.95 -38.47 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.624 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 12.4 m95 -38.17 157.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 11.1 mtm -96.83 123.14 40.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.44 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -115.26 143.08 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.607 ' O ' HD11 ' A' ' 77' ' ' ILE . 75.5 t -134.95 96.25 14.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.711 . . . . 0.0 111.152 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.0 Cg_endo -69.77 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 10.4 p30 48.5 51.85 14.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.607 HD11 ' O ' ' A' ' 74' ' ' VAL . 18.4 mt -113.65 98.85 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HZ3' ' HB3' ' A' ' 47' ' ' SER . 0.0 OUTLIER -107.06 41.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.31 171.4 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.404 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 3.0 m120 -99.33 11.23 39.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -166.78 126.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.4 t80 -119.76 115.66 24.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.7 m -81.64 113.72 19.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.1 t -89.26 117.16 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.544 ' CD2' ' CG2' ' A' ' 32' ' ' THR . 10.5 m-70 -103.91 135.61 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.82 35.38 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.794 HD22 ' CE1' ' A' ' 93' ' ' TYR . 53.5 mt -99.15 -176.74 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -112.79 147.25 37.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 p -68.02 150.4 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 37.95 63.58 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.0 m -145.98 143.23 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -71.74 141.19 49.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.794 ' CE1' HD22 ' A' ' 87' ' ' LEU . 15.8 m-85 -145.27 114.1 6.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.541 HD11 ' CD2' ' A' ' 55' ' ' PHE . 39.1 mt -89.81 141.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CG ' HG21 ' A' ' 35' ' ' VAL . 89.6 m-85 -130.71 142.87 50.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 110' ' ' PRO . 90.7 mt -149.08 110.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.546 HG21 ' CE3' ' A' ' 37' ' ' TRP . 90.5 t -82.05 137.4 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -120.06 108.54 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' PRO . . . -76.95 120.71 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 45' ' ' ILE . 24.4 mt -110.77 141.44 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.518 ' ND2' HD11 ' A' ' 13' ' ' LEU . 48.8 p-10 -150.95 -177.95 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.21 -31.14 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' LEU . . . -74.74 -72.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.94 -142.29 3.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.3 p -137.71 163.32 31.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -146.54 119.1 8.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.456 ' OD1' HG21 ' A' ' 96' ' ' ILE . 1.7 t-20 -88.13 123.89 33.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' ILE . 3.2 t -76.61 171.99 13.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.01 150.81 97.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.74 112.61 3.12 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 95.2 m -95.86 104.06 15.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 129.12 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 95' ' ' PHE . 67.0 mt -136.39 146.13 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -121.98 135.61 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.648 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 69.1 p -79.49 170.79 16.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 117' ' ' SER . 56.2 m-80 -77.4 131.81 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 116' ' ' ASN . 73.1 m -33.75 -71.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 7.5 tt0 -135.16 140.86 35.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.522 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.7 Cg_endo -69.8 -4.39 13.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.224 . . . . 0.0 112.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -118.01 134.14 55.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 151.54 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.5 m -115.26 36.18 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.1 140.28 5.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.06 24.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.2 t -168.56 158.14 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.2 p -75.93 132.97 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -38.83 131.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -102.79 -48.47 4.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.4 -53.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' SER . 70.7 m -47.69 112.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.2 m -36.69 -55.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.48 173.79 20.98 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 88.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.2 -95.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.4 mt -43.87 102.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.98 35.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -106.03 142.33 35.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -125.43 -8.67 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.547 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.1 OUTLIER -29.96 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -140.15 131.07 14.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 111.084 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 124.09 10.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.14 138.18 14.01 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.626 0.727 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 123.84 10.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 162.19 43.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.528 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.7 m -121.16 108.95 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.514 HG23 HG13 ' A' ' 35' ' ' VAL . 93.0 mt -71.52 104.87 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -70.33 96.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -62.43 -31.64 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.36 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 mt -84.41 -26.89 27.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.6 m -53.98 163.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.6 p -147.43 140.32 24.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.765 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -115.48 134.47 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 20.7 m -127.76 166.88 17.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.2 p-80 -37.44 -71.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 8.0 m-20 -119.23 23.38 11.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.43 156.8 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.742 HD11 HG23 ' A' ' 115' ' ' THR . 59.8 mt -156.57 132.32 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.4 m -114.82 118.68 34.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG13 HG23 ' A' ' 21' ' ' ILE . 96.7 t -104.8 129.21 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -108.42 119.94 40.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -109.79 132.37 54.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 20' ' ' SER . 2.4 tp -103.17 128.98 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -138.72 146.53 41.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -93.98 -39.56 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -111.53 83.87 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -114.98 21.88 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -92.54 -33.07 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -82.05 -44.09 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.458 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.6 mt -43.6 121.1 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -64.13 -40.18 95.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 p -169.16 158.19 8.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.96 148.59 24.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -124.54 133.01 53.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 tp -107.55 135.38 49.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -129.16 121.12 27.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 22.0 p90 -133.7 146.83 51.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -155.67 153.55 30.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.417 HG22 HG23 ' A' ' 56' ' ' THR . 33.2 mt -78.5 119.95 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 94' ' ' ILE . 32.0 t80 -90.67 117.27 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.417 HG23 HG22 ' A' ' 54' ' ' ILE . 50.2 p -123.08 170.27 10.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.99 88.61 0.57 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 59' ' ' ALA . 49.1 tt0 -107.81 160.35 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 58' ' ' GLN . . . -41.89 -53.22 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -146.84 143.29 28.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -63.28 -37.64 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.8 mm -61.17 -41.83 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m -48.84 -37.72 20.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.2 tp -83.57 -59.25 2.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -46.1 -34.91 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.65 -43.25 97.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m -96.36 77.83 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 68' ' ' VAL . 7.0 m -75.78 52.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -93.81 -32.06 14.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 71' ' ' TRP . 8.5 m -88.18 -40.03 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 70' ' ' SER . 42.4 m95 -36.57 130.65 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.418 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.6 mtm -89.83 148.81 22.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.78 142.63 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.561 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 89.8 t -134.63 91.54 21.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -177.05 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 62.1 50.06 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.501 HD11 ' O ' ' A' ' 74' ' ' VAL . 28.6 mt -109.28 101.41 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -111.43 43.46 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.68 169.98 16.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.04 14.79 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -170.24 123.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 4.5 t80 -121.67 120.48 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.6 m -83.45 110.98 18.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.2 t -81.9 125.66 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -112.17 143.28 43.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.78 42.57 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 93' ' ' TYR . 19.3 mt -107.5 179.97 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -104.66 139.28 39.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 p -68.78 142.97 54.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.24 62.4 4.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.6 m -150.37 145.63 26.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.165 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -72.11 142.0 49.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 87' ' ' LEU . 18.8 m-85 -143.01 124.15 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.43 HD11 ' CD2' ' A' ' 55' ' ' PHE . 75.7 mt -99.15 133.78 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.489 ' CD1' HD12 ' A' ' 113' ' ' LEU . 96.2 m-85 -120.9 142.9 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 110' ' ' PRO . 52.6 mt -145.54 110.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.5 t -84.44 126.62 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 100' ' ' ILE . 22.4 ttpt -118.91 112.9 20.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -83.19 131.23 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.3 mp -120.51 138.92 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.402 HD21 ' HB3' ' A' ' 103' ' ' ALA . 27.4 p-10 -142.4 173.46 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -48.03 -31.6 5.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -75.32 -72.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.065 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.61 -134.36 1.78 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.9 t -154.05 156.57 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -139.94 113.34 8.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -80.25 135.12 36.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -87.28 178.96 6.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.48 150.46 86.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.709 0.766 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.79 121.5 8.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.365 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.3 m -100.21 108.27 20.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -74.23 129.83 38.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 95' ' ' PHE . 91.7 mt -141.49 140.43 33.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 114' ' ' LYS . 2.4 mtpm? -118.06 135.73 54.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.765 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 24.0 p -80.87 166.35 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 3.2 m-80 -80.57 138.79 36.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 116' ' ' ASN . 18.5 m -33.13 -69.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -135.91 162.73 55.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.83 -164.92 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -63.17 135.96 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -72.04 127.72 33.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 t -75.99 -63.01 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.05 -177.69 19.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 164.0 36.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.9 t -70.96 98.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.6 m -64.51 102.03 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -133.0 -58.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -168.54 156.81 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 164.83 31.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.3 p -174.86 171.34 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 m -87.05 143.01 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.53 174.92 40.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' GLU . 5.8 tm-20 -129.5 104.74 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' C ' HD12 ' A' ' 10' ' ' LEU . . . -103.6 -120.21 4.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.616 HD12 ' C ' ' A' ' 9' ' ' GLY . 4.0 mp -142.31 164.78 29.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -91.19 31.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -101.56 136.05 42.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.758 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.6 tt -129.48 -6.79 4.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.779 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 1.5 t -32.86 -40.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.84 143.05 35.87 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.682 . . . . 0.0 111.125 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 125.35 12.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.236 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -52.38 138.35 39.16 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.87 16.66 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.1 47.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.567 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.9 m -113.3 106.56 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.51 105.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 6.0 mmp_? -79.84 126.62 31.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.25 -27.98 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.54 -25.14 59.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -92.17 -29.98 16.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.0 p -71.6 145.08 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.0 p -123.88 153.06 41.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.691 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -119.62 134.34 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' HIS . 15.0 m -128.84 166.6 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 4.3 p-80 -35.98 -72.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.51 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.7 m-20 -116.39 11.77 15.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.428 ' C ' HG13 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -124.81 157.27 36.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.581 HD11 ' CG2' ' A' ' 115' ' ' THR . 60.6 mt -157.54 130.79 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -110.59 114.5 27.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' A' ' 95' ' ' PHE . 87.0 t -102.95 124.01 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -105.43 126.02 51.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.643 ' CE3' HG21 ' A' ' 97' ' ' VAL . 16.3 p90 -117.31 133.39 56.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.8 tp -110.85 128.89 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -126.3 142.76 51.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.02 -9.46 30.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -175.16 126.13 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.32 21.51 3.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -79.22 -37.64 37.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.6 m -76.43 -44.15 37.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 100' ' ' ILE . 71.4 mt -50.56 122.43 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -70.64 -36.2 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.5 p -163.42 165.64 23.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 4.5 m-85 -111.49 171.03 7.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' HG2' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -127.9 145.59 50.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 82' ' ' TYR . 15.5 tp -130.42 119.48 22.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.491 ' NE2' HG12 ' A' ' 73' ' ' ILE . 9.5 mt-30 -122.31 135.83 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.615 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 3.4 p90 -150.3 145.06 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.499 HG22 ' CZ3' ' A' ' 71' ' ' TRP . 9.9 t -155.7 151.77 27.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.423 HG22 HG22 ' A' ' 56' ' ' THR . 32.5 mt -69.51 117.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 94' ' ' ILE . 36.1 t80 -98.02 105.78 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.423 HG22 HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -141.46 160.02 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -36.29 116.12 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -139.87 170.48 15.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.07 -57.5 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 39.9 t30 -172.14 122.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' ILE . 37.8 t80 -37.2 -63.48 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' PHE . 6.6 mm -34.3 -53.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t -44.53 -65.95 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 tp -53.68 -55.25 27.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -52.4 -26.33 12.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.97 -47.58 79.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 t -92.42 53.99 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 2.5 p -53.17 -17.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.27 -20.32 41.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 t -86.12 -34.57 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.499 ' CZ3' HG22 ' A' ' 53' ' ' THR . 16.6 m95 -45.73 150.16 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.615 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 8.5 ptp -92.2 141.47 28.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.624 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -136.94 152.78 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.67 ' O ' HD11 ' A' ' 77' ' ' ILE . 79.3 t -130.35 92.07 36.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.5 Cg_endo -69.78 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 2.266 . . . . 0.0 112.334 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 63.81 46.5 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 74' ' ' VAL . 52.2 mt -109.07 126.45 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -134.92 40.76 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -135.49 166.45 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -93.48 12.96 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -171.65 124.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.627 ' CD1' HD22 ' A' ' 50' ' ' LEU . 14.2 t80 -116.03 114.53 24.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.7 m -77.08 113.41 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG21 ' HE2' ' A' ' 95' ' ' PHE . 88.0 t -84.5 131.69 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.414 ' CD2' HG22 ' A' ' 32' ' ' THR . 10.0 m-70 -121.77 130.22 53.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 112.51 50.59 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.841 HD22 ' CE2' ' A' ' 93' ' ' TYR . 21.7 mt -119.45 -175.49 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -113.22 139.2 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -63.38 147.43 51.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.33 55.1 9.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.6 m -141.09 141.14 34.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 93' ' ' TYR . 43.0 mtt180 -72.02 154.87 40.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.841 ' CE2' HD22 ' A' ' 87' ' ' LEU . 24.6 m-85 -157.05 119.16 3.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.514 HD11 ' CD2' ' A' ' 55' ' ' PHE . 67.1 mt -91.47 116.33 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.681 ' CD1' HD12 ' A' ' 113' ' ' LEU . 73.3 m-85 -99.77 138.37 36.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' A' ' 110' ' ' PRO . 51.6 mt -139.05 105.08 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.643 HG21 ' CE3' ' A' ' 37' ' ' TRP . 77.2 t -88.6 139.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 49' ' ' GLU . 21.2 ttpp -132.29 130.07 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -92.42 131.39 37.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 45' ' ' ILE . 5.1 mp -120.42 141.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -152.63 179.9 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.95 -34.51 59.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.779 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -69.82 -71.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -162.62 -142.69 3.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.5 p -144.59 153.64 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -141.25 111.1 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.52 129.14 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.2 t -77.78 179.01 6.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.28 151.12 83.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.66 0.743 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.491 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.5 Cg_endo -69.76 113.59 3.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.743 2.295 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -99.32 103.91 15.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -72.91 131.08 41.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 95' ' ' PHE . 78.8 mt -128.56 168.79 15.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -138.88 131.61 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.691 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 40.2 p -79.76 165.92 22.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 85.6 m-20 -76.95 168.67 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 66.1 m -58.14 -71.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -135.17 162.12 59.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.8 Cg_endo -69.75 -21.57 33.34 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -123.03 124.24 42.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -101.59 141.83 33.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.5 m -119.43 95.31 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.407 ' HA2' ' HD2' ' A' ' 124' ' ' PRO . . . -160.93 98.03 0.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.407 ' HD2' ' HA2' ' A' ' 123' ' ' GLY . 53.7 Cg_endo -69.78 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 9.9 t -121.17 141.58 50.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.5 m -138.39 127.14 23.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -79.8 117.86 21.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -128.12 144.23 51.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.31 -107.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -96.15 42.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.851 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 68.9 44.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.4 -133.31 3.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -51.3 95.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.49 158.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.722 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -155.12 123.62 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.68 49.36 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.14 174.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD23 ' HB2' ' A' ' 103' ' ' ALA . 7.2 tt -110.54 -38.94 5.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.746 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 6.1 t -27.03 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -135.47 135.86 23.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.9 20.15 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.369 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -52.86 137.58 45.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.646 0.736 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.34 15.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HG3' HG12 ' A' ' 97' ' ' VAL . 53.8 Cg_endo -69.69 156.79 62.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.519 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.6 m -112.0 99.98 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.419 HD11 ' H ' ' A' ' 97' ' ' VAL . 91.7 mt -64.94 104.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 5.9 mmp_? -77.87 127.11 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -88.02 -30.4 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.21 -24.05 62.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.6 mt -92.85 -30.16 15.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.97 154.13 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 p -130.77 149.92 52.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.705 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.95 131.39 56.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 32' ' ' THR . 1.1 t -128.32 166.57 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.495 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 7.9 p-80 -42.28 -68.04 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' HG23 ' A' ' 32' ' ' THR . 1.0 OUTLIER -122.1 37.88 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -161.2 135.64 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.72 HD11 HG23 ' A' ' 115' ' ' THR . 82.5 mt -137.31 134.3 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.9 m -112.35 110.7 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG21 ' CG ' ' A' ' 95' ' ' PHE . 97.2 t -99.17 132.0 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -111.97 124.14 51.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.489 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 17.7 p90 -112.16 134.47 53.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.7 tp -110.99 129.23 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.8 t -131.11 153.35 49.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 41' ' ' ASP . 20.0 p-10 -89.7 -31.49 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 2.3 m-20 -131.51 100.78 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -113.38 -33.7 5.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -41.27 -31.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 m -79.6 -45.94 18.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.2 mt -51.63 120.48 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -68.47 -45.22 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.2 p -155.2 158.61 39.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -107.19 157.69 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -132.02 133.53 44.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.489 HD13 ' CZ3' ' A' ' 37' ' ' TRP . 15.3 tp -108.56 141.18 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.711 ' HG2' HD12 ' A' ' 73' ' ' ILE . 34.7 mt-30 -130.18 116.13 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.05 145.52 50.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.403 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 10.7 t -157.39 143.39 17.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.572 HG22 HG23 ' A' ' 56' ' ' THR . 33.7 mt -69.31 114.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -95.47 104.71 16.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.572 HG23 HG22 ' A' ' 54' ' ' ILE . 44.8 p -122.76 174.13 7.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.02 104.81 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.7 tt0 -160.0 176.13 12.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -34.29 148.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 59' ' ' ALA . 10.2 t-20 -34.24 135.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.03 -42.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.45 HG22 ' ND2' ' A' ' 66' ' ' ASN . 30.5 mm -50.06 -45.13 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -52.92 -59.81 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.56 -56.79 14.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.704 ' O ' HG23 ' A' ' 68' ' ' VAL . 12.4 t80 -51.81 -33.16 34.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.45 ' ND2' HG22 ' A' ' 62' ' ' ILE . 27.7 m-20 -59.83 -34.55 73.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.0 m -106.64 67.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 65' ' ' TYR . 45.3 t -74.84 61.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -105.6 -32.12 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' TRP . 52.7 m -88.05 -31.74 19.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.66 ' CG ' HG13 ' A' ' 68' ' ' VAL . 24.9 m95 -33.91 133.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.438 ' C ' HD13 ' A' ' 73' ' ' ILE . 11.5 mtm -91.97 122.2 34.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.711 HD12 ' HG2' ' A' ' 51' ' ' GLN . 4.9 mm -110.25 156.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.635 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 96.5 t -135.0 94.43 16.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.603 0.716 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 54.2 Cg_endo -69.7 -166.18 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.383 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.47 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.6 p-10 47.72 54.4 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 74' ' ' VAL . 16.7 mt -108.9 108.16 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -118.21 43.25 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.38 166.96 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -87.89 -6.74 57.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -153.87 133.01 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.635 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 9.3 t80 -122.75 129.89 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.0 m -92.16 106.55 18.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.5 t -78.0 124.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -105.5 149.89 25.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 43.69 4.56 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 93' ' ' TYR . 19.7 mt -106.54 171.06 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -97.76 137.4 36.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.3 p -69.07 149.11 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 45.32 51.79 9.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.0 m -141.91 146.22 35.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.749 0.309 . . . . 0.0 111.149 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' CD ' ' HE ' ' A' ' 112' ' ' ARG . 14.4 mtt85 -72.69 147.86 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.5 m-85 -148.57 119.45 7.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.474 HG12 ' CG ' ' A' ' 112' ' ' ARG . 50.0 mt -89.77 142.23 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.659 ' CD2' HD12 ' A' ' 113' ' ' LEU . 91.8 m-85 -128.85 134.98 48.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 110' ' ' PRO . 20.5 mt -141.09 106.11 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.439 HG12 ' HG3' ' A' ' 19' ' ' PRO . 73.3 t -83.3 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' HB2' ' ND2' ' A' ' 107' ' ' ASN . 21.1 ttpp -128.45 110.85 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.37 136.08 39.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.3 mt -124.38 131.6 72.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -138.95 -175.14 4.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -59.74 -34.3 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -70.47 -55.84 8.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.77 -133.55 1.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.5 p -149.12 162.96 38.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.385 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -146.02 113.24 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.453 ' ND2' ' HB2' ' A' ' 98' ' ' LYS . 5.9 m120 -81.08 133.79 35.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.4 p -89.32 177.91 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -74.91 151.23 86.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.424 ' HA ' ' CG1' ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.7 m -120.22 101.02 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.474 ' CG ' HG12 ' A' ' 94' ' ' ILE . 2.8 mtp-105 -73.31 128.07 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.659 HD12 ' CD2' ' A' ' 95' ' ' PHE . 88.1 mt -128.02 150.25 50.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 31.1 mtpt -117.27 132.18 56.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.72 HG23 HD11 ' A' ' 33' ' ' ILE . 19.2 p -82.56 163.5 21.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 117' ' ' SER . 4.7 m-20 -72.53 139.11 47.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 116' ' ' ASN . 23.1 p -36.79 -68.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -135.09 162.09 59.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.495 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.74 -174.94 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.3 103.18 2.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -91.16 113.59 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 26.5 t -106.29 -61.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 136.23 -152.1 21.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.95 4.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.708 2.272 . . . . 0.0 112.373 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.9 p -47.09 -59.48 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.1 t 72.07 43.36 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -127.71 141.86 51.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p -62.77 -52.9 61.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.56 126.26 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -75.94 96.78 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -89.55 144.6 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -78.91 119.6 5.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 7' ' ' GLY . 41.6 tp10 -34.39 -58.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.62 -54.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -106.66 -24.7 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 11' ' ' ASP . 26.5 t70 43.83 26.43 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' HB3' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -43.31 153.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.789 HD23 ' HB2' ' A' ' 103' ' ' ALA . 8.3 tt -70.43 -40.66 73.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.712 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 15.2 t -31.72 -37.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -144.42 131.07 10.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.546 0.688 . . . . 0.0 111.091 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 136.93 34.33 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.718 2.278 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' CG ' ' OD1' ' A' ' 11' ' ' ASP . 12.8 m-20 -57.68 141.64 79.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.88 10.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 146.22 59.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -103.73 120.82 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.8 mt -83.55 120.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' HD12 ' A' ' 25' ' ' LEU . 13.6 mmm180 -88.35 123.67 33.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mp0 -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -75.82 -21.89 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.453 HD12 ' HG3' ' A' ' 22' ' ' ARG . 56.3 mt -97.04 -29.28 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.3 p -71.63 147.53 47.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 33' ' ' ILE . 55.9 p -123.04 162.67 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -129.6 137.03 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.099 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.7 m -132.31 165.95 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 3.5 p-80 -35.17 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 19.2 p30 -118.2 34.56 5.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 ' C ' HG13 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -152.49 154.63 35.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.831 HD11 HG23 ' A' ' 115' ' ' THR . 70.8 mt -154.96 138.55 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -114.02 109.79 19.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.4 t -95.26 136.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.26 119.42 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CE3' HG21 ' A' ' 97' ' ' VAL . 30.7 p90 -112.05 132.11 55.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.98 135.59 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -138.6 139.68 38.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.35 14.99 30.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.55 120.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ILE . 5.0 pt-20 -132.92 -32.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' GLU . 22.4 m-85 -36.23 -38.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -78.17 -40.29 38.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' GLU . 48.6 mt -62.2 127.14 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.2 m -81.89 -39.17 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.3 p -163.15 154.28 16.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -103.35 153.02 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.639 ' CD ' HD13 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -129.29 143.08 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.34 138.99 47.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -135.49 113.96 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.581 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 49.0 p90 -129.33 149.84 50.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.699 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 14.6 t -154.88 141.43 18.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.3 117.18 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.793 ' CD2' HD11 ' A' ' 94' ' ' ILE . 33.8 t80 -96.77 113.47 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.8 p -121.04 -179.87 4.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.12 43.58 3.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -63.36 174.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.919 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.1 -49.85 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -172.53 156.29 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -63.38 -45.61 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 33.6 mm -48.67 -53.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -46.4 -51.24 15.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tp -64.19 -65.82 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -46.79 -24.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -59.6 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.6 m -102.61 75.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 68' ' ' VAL . 10.5 p -76.75 43.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.079 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -95.06 -34.34 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 71' ' ' TRP . 3.9 m -80.84 -36.54 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.699 ' CZ2' HG21 ' A' ' 53' ' ' THR . 20.7 m95 -32.09 146.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.407 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.9 mpp? -93.54 150.81 20.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 72' ' ' MET . 5.3 mp -141.84 143.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' O ' HD11 ' A' ' 77' ' ' ILE . 99.4 t -133.84 93.54 20.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.729 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.67 -179.21 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 63.94 49.29 2.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.521 HD11 ' O ' ' A' ' 74' ' ' VAL . 35.7 mt -109.82 102.1 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -112.54 44.43 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -141.21 170.75 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -97.23 10.22 40.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -167.3 129.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -123.37 131.4 53.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.9 m -90.78 106.95 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.61 HG21 ' HE1' ' A' ' 95' ' ' PHE . 62.3 t -78.3 121.25 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -106.49 146.08 31.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.61 49.13 3.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 93' ' ' TYR . 37.8 mt -111.28 177.24 4.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -104.57 135.86 45.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.7 m -73.55 142.44 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.64 85.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -146.29 142.17 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.453 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 38.6 mtt-85 -73.44 139.06 45.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.538 ' CE2' HD22 ' A' ' 87' ' ' LEU . 15.2 m-85 -135.59 120.98 19.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 55' ' ' PHE . 84.0 mt -95.25 128.98 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' HE1' HG21 ' A' ' 84' ' ' VAL . 96.6 m-85 -116.3 140.92 48.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.416 HD12 ' CZ3' ' A' ' 71' ' ' TRP . 39.8 mt -138.89 107.25 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.445 HG21 ' CE3' ' A' ' 37' ' ' TRP . 53.6 t -82.93 134.94 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.588 ' HD2' HD11 ' A' ' 100' ' ' ILE . 8.0 ttmm -123.48 129.04 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.449 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -99.34 110.27 22.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.639 HD13 ' CD ' ' A' ' 49' ' ' GLU . 4.5 mp -100.49 145.13 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' A' ' 103' ' ' ALA . 29.9 p-10 -154.53 179.5 8.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -54.08 -34.2 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.789 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -71.58 -57.86 4.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.13 -130.39 1.36 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.487 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 p -154.98 151.15 28.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -135.06 110.84 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -81.86 134.1 35.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -88.06 179.08 6.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -73.11 149.91 89.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.68 132.98 24.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.723 2.282 . . . . 0.0 112.3 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -120.29 109.87 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -88.05 138.22 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 37.3 mt -134.16 155.0 50.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' HG3' ' NH1' ' A' ' 92' ' ' ARG . 30.9 mtpt -114.12 124.8 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.831 HG23 HD11 ' A' ' 33' ' ' ILE . 10.9 p -79.91 161.98 25.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 117' ' ' SER . 92.7 m-20 -66.96 126.47 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 116' ' ' ASN . 8.1 m -32.87 -71.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.471 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 5.2 tt0 -135.2 140.61 35.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.724 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.535 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.0 Cg_endo -69.76 -1.09 7.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.643 2.228 . . . . 0.0 112.394 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.42 134.01 54.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -67.91 117.19 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 123' ' ' GLY . 72.9 p -145.2 138.07 26.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 122' ' ' SER . . . -34.39 147.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.76 21.84 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.616 2.211 . . . . 0.0 112.355 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 t -164.5 160.45 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.3 p -89.81 -48.04 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -124.82 105.42 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -91.83 42.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.81 -160.56 2.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -169.47 150.49 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -173.95 118.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' CD ' ' A' ' 8' ' ' GLU . . . 116.95 44.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.539 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' CD ' ' C ' ' A' ' 7' ' ' GLY . 23.4 mp0 -136.49 121.51 18.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.7 80.84 1.53 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.6 mt -138.13 116.98 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.93 -38.04 38.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -50.66 142.91 10.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.738 HD23 ' HB2' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -133.91 4.61 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.521 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -32.4 -54.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -144.52 161.07 45.71 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 111.071 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 141.46 45.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -69.93 139.9 88.39 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.669 0.747 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 174.91 8.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -126.6 112.29 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.3 mt -77.32 98.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -71.31 125.46 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -87.82 -30.32 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.94 -24.27 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.55 -29.51 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 p -69.79 140.4 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 33' ' ' ILE . 29.1 p -123.84 159.23 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -126.08 146.79 49.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 30' ' ' HIS . 3.3 m -138.34 167.31 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 1.3 p-80 -33.75 -76.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.51 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 2.7 p30 -117.53 29.35 7.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -147.57 154.83 41.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 27' ' ' THR . 70.6 mt -153.3 137.8 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 m -114.15 109.28 18.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -95.19 129.22 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -108.08 119.99 41.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.8 p90 -112.49 136.82 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tp -116.03 138.67 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.7 p -135.77 156.85 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -71.29 -28.67 64.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.5 118.05 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -114.71 22.28 13.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -76.37 -42.34 44.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 m -72.2 -42.74 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.465 HD13 ' HB1' ' A' ' 99' ' ' ALA . 61.3 mt -53.31 116.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -67.01 -43.26 83.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.7 p -160.71 155.13 23.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 8.8 m-85 -101.71 156.43 17.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.633 ' HG2' HG23 ' A' ' 73' ' ' ILE . 7.2 tt0 -122.51 121.3 36.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -93.43 119.36 32.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -117.81 113.73 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 72' ' ' MET . 4.0 p90 -134.58 158.61 43.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.473 HG21 ' CE2' ' A' ' 71' ' ' TRP . 13.4 t -162.67 147.6 12.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.489 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 56.3 mt -70.43 120.84 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 94' ' ' ILE . 27.5 t80 -102.85 113.18 26.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.443 HG23 HG22 ' A' ' 54' ' ' ILE . 81.1 p -119.55 -175.78 3.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.84 99.0 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.511 HE22 HD13 ' A' ' 64' ' ' LEU . 44.8 mt-30 -120.24 147.93 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.92 -46.75 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.43 134.99 16.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -44.87 -41.56 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASN . 46.5 mm -49.77 -57.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 62' ' ' ILE . 4.8 m -36.36 -54.35 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.511 HD13 HE22 ' A' ' 58' ' ' GLN . 11.0 tp -67.45 -57.57 6.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.676 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.9 t80 -55.46 -15.74 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' ILE . 10.7 t-20 -62.99 -44.07 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.9 m -100.7 62.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 65' ' ' TYR . 24.2 t -60.74 -32.47 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -45.12 -21.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 68' ' ' VAL . 69.1 m -82.79 -36.19 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 11.7 m95 -39.38 150.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.549 ' HB3' ' CE1' ' A' ' 52' ' ' TYR . 8.6 mtm -87.04 127.3 35.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.633 HG23 ' HG2' ' A' ' 49' ' ' GLU . 5.0 mp -119.01 139.74 45.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.553 ' O ' HD11 ' A' ' 77' ' ' ILE . 72.3 t -134.95 89.78 23.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 111.186 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 62.86 47.26 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.553 HD11 ' O ' ' A' ' 74' ' ' VAL . 41.8 mt -110.17 125.03 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -135.06 41.69 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.494 ' CD ' HG23 ' A' ' 77' ' ' ILE . 20.2 pm0 -134.78 -179.74 5.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -108.73 14.64 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -172.7 121.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.5 t80 -115.89 117.51 30.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.408 HG22 ' CD2' ' A' ' 85' ' ' HIS . 14.2 m -79.2 111.02 15.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.02 123.52 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.417 ' CD2' HG22 ' A' ' 32' ' ' THR . 16.9 m170 -108.75 143.94 37.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.55 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.3 mt -106.1 179.29 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -107.15 158.6 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.6 p -90.06 149.49 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.19 45.64 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 80.5 m -135.91 141.55 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 111.152 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -71.92 136.26 46.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.489 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 11.7 m-85 -136.05 114.68 11.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 55' ' ' PHE . 79.5 mt -91.51 136.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 97.5 m-85 -123.66 143.23 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.649 HD11 ' HB3' ' A' ' 110' ' ' PRO . 57.1 mt -145.62 110.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 88.8 t -82.72 136.31 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 98' ' ' LYS . 1.8 ttmp? -125.55 114.81 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.465 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -82.74 131.29 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -124.19 140.06 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.532 HD21 ' HB3' ' A' ' 103' ' ' ALA . 20.2 p-10 -152.75 -179.6 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -52.8 -33.86 50.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.738 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -68.81 -71.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.29 -138.54 2.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.7 p -150.15 141.82 23.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -123.88 147.49 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -114.36 129.31 56.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.71 167.87 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -68.39 149.7 97.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.649 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.74 126.45 13.34 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.4 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.0 m -108.18 110.44 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -74.42 120.89 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 95' ' ' PHE . 91.7 mt -128.55 161.25 30.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 11.1 mtpt -141.22 148.76 40.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.781 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 44.2 p -78.68 177.94 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 44.0 m-20 -85.93 -73.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' HIS . 42.5 t -171.52 159.84 5.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.408 ' OE1' ' HD2' ' A' ' 119' ' ' PRO . 3.1 tp60 -74.55 136.32 74.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.76 -2.99 11.11 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.1 154.73 37.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -104.98 130.5 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -164.5 155.04 14.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.16 -142.87 17.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.21 27.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -40.63 -57.92 1.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.8 p -66.64 93.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -83.1 -47.57 11.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p 39.99 42.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.9 75.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -125.68 43.31 3.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 m -112.48 144.0 42.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.68 66.32 0.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.432 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 14.8 pt-20 -46.69 171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.16 125.95 8.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' HG3' ' A' ' 8' ' ' GLU . 3.2 mm? -108.5 -52.65 2.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.821 0.343 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 58.87 25.66 13.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.641 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -95.08 134.45 37.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 15' ' ' ALA . 18.2 tp -126.06 -7.82 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.632 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.6 OUTLIER -35.54 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.44 151.19 39.38 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 111.083 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HB3' ' CG ' ' A' ' 101' ' ' ASN . 53.3 Cg_endo -69.81 126.74 13.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -51.97 132.53 39.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.592 0.711 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.18 13.03 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.56 30.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 38' ' ' ILE . 1.9 m -124.03 110.01 14.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.0 mt -72.07 119.73 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -91.37 108.04 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -71.87 -34.22 69.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.19 -32.1 73.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.9 mt -89.04 -26.0 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.43 162.68 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.4 p -146.76 142.09 27.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.79 139.07 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 30' ' ' HIS . 14.4 m -131.7 162.25 30.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 2.4 p-80 -34.02 -67.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.504 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 5.6 m-20 -124.72 29.94 6.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.08 149.58 33.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 115' ' ' THR . 76.9 mt -149.67 133.23 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.6 m -115.86 118.88 34.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.598 HG21 ' CG ' ' A' ' 95' ' ' PHE . 48.0 t -101.5 133.7 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -111.87 122.78 48.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.528 ' CE3' HG21 ' A' ' 97' ' ' VAL . 17.5 p90 -113.37 135.81 53.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 20' ' ' SER . 3.1 tp -106.16 131.76 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -138.62 143.83 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -86.3 -42.79 13.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -115.45 85.44 2.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -110.31 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -90.89 -38.14 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m -75.54 -41.47 54.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.586 HD13 ' HB1' ' A' ' 99' ' ' ALA . 70.2 mt -49.48 112.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.082 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -58.79 -43.41 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.2 p -163.92 159.14 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 8.1 m-85 -103.83 154.55 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.31 131.34 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 77' ' ' ILE . 12.7 tp -101.81 145.53 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.13 115.59 8.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 37.7 p90 -130.13 146.19 51.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.748 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 7.1 t -152.07 142.54 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.535 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 69.5 mt -66.76 120.59 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 94' ' ' ILE . 2.0 t80 -97.79 127.33 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.3 p -136.63 -178.48 5.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.8 83.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -107.57 161.86 14.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 110.936 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.04 -44.68 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -175.01 164.52 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -58.98 -43.07 91.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.482 HG22 ' ND2' ' A' ' 66' ' ' ASN . 25.2 mm -50.0 -46.1 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 m -51.52 -52.06 50.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -70.36 -64.83 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -43.42 -27.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.482 ' ND2' HG22 ' A' ' 62' ' ' ILE . 24.2 m-20 -62.03 -46.83 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.6 m -87.19 44.74 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.569 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 1.4 p -49.57 -19.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -54.84 -23.15 17.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -87.36 -33.16 19.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 53' ' ' THR . 16.2 m95 -46.92 140.22 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -87.8 146.05 25.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -135.59 143.33 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.684 HG11 ' CE2' ' A' ' 82' ' ' TYR . 96.9 t -133.98 94.27 18.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.449 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 53.8 Cg_endo -69.79 -164.42 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 75' ' ' PRO . 1.7 p-10 47.09 53.13 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.488 HD11 ' O ' ' A' ' 74' ' ' VAL . 14.2 mt -107.83 107.62 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -114.39 43.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -140.0 165.61 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.467 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 9.6 m-20 -93.29 13.07 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -173.08 125.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.684 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.6 t80 -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.4 m -88.92 105.86 18.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 65.2 t -81.79 123.36 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -108.6 151.78 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.77 33.81 9.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD13 HD12 ' A' ' 33' ' ' ILE . 64.2 mt -91.26 -175.58 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -109.24 136.91 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.93 149.1 48.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.59 63.72 2.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 48.5 m -154.26 142.37 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 111.118 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.554 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 15.3 mtt180 -71.75 136.76 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.535 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 15.1 m-85 -137.77 119.85 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.613 HD11 ' HD2' ' A' ' 55' ' ' PHE . 71.2 mt -93.54 132.55 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.598 ' CG ' HG21 ' A' ' 35' ' ' VAL . 96.5 m-85 -119.46 130.9 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 84.3 mt -132.03 111.11 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.528 HG21 ' CE3' ' A' ' 37' ' ' TRP . 59.5 t -85.55 127.08 40.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -118.71 115.17 23.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.586 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -84.77 134.67 34.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.2 mt -119.04 125.92 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 27.6 p-10 -137.94 -174.97 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.476 ' NE2' HD21 ' A' ' 13' ' ' LEU . 4.9 pp0? -59.67 -35.19 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -67.8 -56.2 10.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.93 -137.03 3.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 p -140.86 141.12 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -125.74 127.42 46.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.63 130.73 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 t -84.24 178.81 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -71.48 148.16 93.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.73 5.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.7 m -108.18 110.29 21.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.429 ' HB3' HG12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -89.84 133.89 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.583 HD12 ' CD1' ' A' ' 95' ' ' PHE . 14.6 mt -129.96 174.42 9.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -140.73 139.65 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.786 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 50.2 p -89.26 -179.67 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -101.17 165.52 11.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 m -47.82 175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -75.05 154.35 86.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -1.6 8.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.83 131.1 47.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -99.62 142.23 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 t -129.9 101.11 5.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.07 -177.57 31.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.84 29.58 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.745 2.297 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -53.63 129.5 33.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.9 p -146.39 139.51 25.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -83.94 126.01 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -88.36 -49.43 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 85.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -46.42 104.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -93.16 -51.88 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.16 142.53 10.46 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.1 mp0 -95.06 -43.42 8.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.393 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.8 -39.51 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.452 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.68 133.01 56.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.39 33.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.617 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -86.39 59.82 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 2.1 tt 44.94 41.6 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -35.85 -47.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -166.14 162.09 12.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 111.145 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.645 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.5 Cg_endo -69.8 147.58 62.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.28 142.49 81.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 120.9 7.6 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 144.98 55.98 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.16 117.42 34.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.0 mt -82.37 103.73 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -74.47 125.41 28.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -87.75 -18.9 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.92 -23.29 39.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.59 -30.07 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.0 p -64.23 145.48 55.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 33' ' ' ILE . 69.6 p -121.58 151.59 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -122.88 138.0 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.9 t -134.9 163.92 28.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 5.9 p-80 -42.82 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 15.2 m-20 -120.15 35.15 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -160.63 147.41 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.778 HD11 HG23 ' A' ' 115' ' ' THR . 78.1 mt -149.66 133.77 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.2 m -109.47 118.5 36.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG21 ' CG ' ' A' ' 95' ' ' PHE . 48.1 t -104.2 129.13 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -109.27 126.29 53.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -116.24 130.94 57.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 tp -104.95 132.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -139.01 143.22 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -83.46 -37.11 23.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.09 93.83 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -122.86 21.1 9.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.17 -26.08 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 m -87.23 -44.14 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.529 HD13 ' HB1' ' A' ' 99' ' ' ALA . 88.4 mt -43.24 121.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -66.68 -45.61 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 p -159.89 156.43 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 9.1 m-85 -103.17 151.63 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.709 ' HG3' HG23 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -123.61 129.15 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 82' ' ' TYR . 15.2 tp -104.9 119.86 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -114.79 120.34 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -134.98 146.69 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.468 HG21 ' CZ2' ' A' ' 71' ' ' TRP . 7.2 t -158.48 148.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.56 135.75 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 94' ' ' ILE . 54.4 t80 -110.18 119.84 40.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.1 p -126.68 -177.04 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.71 63.28 4.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -103.93 176.14 5.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -46.59 169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' ALA . 3.2 m120 -35.41 149.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -53.75 -48.41 69.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.8 mm -41.89 -46.91 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.0 m -44.12 -70.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 tp -57.93 -52.49 65.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -48.64 -32.16 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.23 -37.88 89.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.0 p -89.49 45.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 1.4 p -56.34 -13.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.12 -8.05 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' TRP . 4.8 t -104.94 -39.38 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.502 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 14.9 m95 -35.76 150.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.465 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.4 mpp? -85.99 153.08 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.709 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.3 mp -146.2 141.77 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.688 ' O ' HD11 ' A' ' 77' ' ' ILE . 78.6 t -131.92 93.56 26.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.7 Cg_endo -69.73 -170.32 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 60.9 36.69 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.688 HD11 ' O ' ' A' ' 74' ' ' VAL . 20.8 mt -99.42 104.93 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -117.65 37.16 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -132.79 178.22 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -102.55 12.54 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -172.13 125.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 7.7 t80 -115.71 124.72 51.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.476 HG22 ' CD2' ' A' ' 85' ' ' HIS . 24.7 m -84.39 107.5 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.672 HG21 ' HE2' ' A' ' 95' ' ' PHE . 58.6 t -80.77 109.61 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.476 ' CD2' HG22 ' A' ' 83' ' ' THR . 7.4 m-70 -100.79 140.58 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.51 41.98 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.563 HD13 HD12 ' A' ' 33' ' ' ILE . 42.9 mt -107.03 -175.51 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -112.36 140.23 47.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.2 p -67.31 146.43 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 46.74 54.05 9.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -139.73 140.72 36.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.329 . . . . 0.0 111.135 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -72.13 145.46 48.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.506 ' CE1' HD22 ' A' ' 87' ' ' LEU . 23.8 m-85 -149.14 122.24 8.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 55' ' ' PHE . 59.5 mt -95.65 127.63 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.672 ' HE2' HG21 ' A' ' 84' ' ' VAL . 84.6 m-85 -113.87 140.21 48.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 110' ' ' PRO . 63.2 mt -142.39 105.22 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.2 t -83.49 129.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.51 ' HZ3' ' CB ' ' A' ' 98' ' ' LYS . 5.1 ttpm? -122.51 122.91 40.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.529 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -90.71 125.02 35.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CD1' ' HB2' ' A' ' 49' ' ' GLU . 5.1 mp -113.74 141.02 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.483 ' ND2' HD21 ' A' ' 13' ' ' LEU . 48.6 p-10 -148.89 -175.02 4.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -59.3 -34.05 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.66 -70.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.63 -135.19 1.78 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.457 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.9 145.8 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -132.16 120.32 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -91.83 132.01 36.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 t -81.38 171.66 14.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -66.03 151.2 95.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.644 0.735 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.492 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.0 Cg_endo -69.76 114.87 3.85 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.67 2.246 . . . . 0.0 112.369 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -99.53 102.56 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -75.18 126.53 31.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.416 HD12 ' CD1' ' A' ' 95' ' ' PHE . 83.9 mt -123.01 161.32 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -136.44 129.65 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.778 HG23 HD11 ' A' ' 33' ' ' ILE . 39.4 p -78.99 169.09 18.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 117' ' ' SER . 25.4 p30 -81.16 138.27 35.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 116' ' ' ASN . 3.0 m -33.48 -64.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -135.72 163.14 52.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.51 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_endo -69.76 -175.15 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.745 2.297 . . . . 0.0 112.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 120' ' ' PHE . 1.2 t80 -63.11 131.36 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -103.4 137.04 42.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 63.8 p -59.48 150.22 27.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.16 -153.2 7.81 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -172.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.313 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.2 t -172.9 156.82 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.815 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.2 p -115.04 6.4 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -41.19 152.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -154.01 155.94 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.46 75.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 p -74.5 -52.57 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -61.48 -47.28 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.11 -54.33 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 9' ' ' GLY . 1.1 pm0 -113.67 -41.87 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' N ' ' HG2' ' A' ' 8' ' ' GLU . . . 135.45 -137.03 8.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.745 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.1 pp -141.61 147.05 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.23 -38.31 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.462 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 1.2 p90 -44.08 150.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 103' ' ' ALA . 2.7 tm? -128.06 -31.16 2.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.869 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 0.5 OUTLIER -25.01 -45.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -121.86 145.41 43.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 145.54 57.58 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.38 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -60.06 128.44 87.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 121.29 8.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.03 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -120.91 108.31 13.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.499 HD11 ' H ' ' A' ' 97' ' ' VAL . 54.4 mt -74.9 115.6 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HG3' HD12 ' A' ' 25' ' ' LEU . 11.4 mmm180 -79.31 122.89 26.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -85.38 -26.15 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE2' ' NH2' ' A' ' 22' ' ' ARG . 8.3 pm0 -79.0 -20.66 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' HG3' ' A' ' 22' ' ' ARG . 66.9 mt -96.77 -29.68 13.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 10.7 p -68.81 136.94 53.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.6 p -111.76 161.94 15.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.769 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -128.21 136.33 50.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.475 ' HA ' ' ND2' ' A' ' 116' ' ' ASN . 1.6 t -131.85 164.18 26.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 15.9 p-80 -48.6 -61.19 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 87' ' ' LEU . 26.0 t70 -119.72 28.25 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.423 HG21 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -154.43 152.67 30.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.788 HD11 ' CG2' ' A' ' 115' ' ' THR . 34.4 mt -154.96 127.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -105.95 119.22 38.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.886 HG21 ' CD2' ' A' ' 95' ' ' PHE . 92.2 t -106.94 120.26 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -100.37 124.32 45.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -118.95 132.16 56.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 20' ' ' SER . 3.2 tp -100.8 141.37 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' HG13 ' A' ' 38' ' ' ILE . 57.1 p -135.67 142.22 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -91.82 -4.53 54.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -173.99 125.76 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -133.91 3.55 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -57.78 -31.85 66.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.2 t -85.61 -33.45 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.56 HD13 ' HB1' ' A' ' 99' ' ' ALA . 89.7 mt -65.55 113.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -29.29 68.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -173.04 157.01 3.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 99' ' ' ALA . 7.2 m-85 -100.81 155.14 18.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -129.38 131.11 46.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -102.59 149.4 24.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -144.6 114.49 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 11.5 p90 -128.98 148.7 50.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -157.28 142.47 17.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 49.3 mt -67.59 124.69 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 94' ' ' ILE . 38.2 t80 -108.28 107.14 17.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -133.19 80.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.158 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.29 150.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -175.18 145.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.07 83.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' PHE . 2.7 t-20 -149.79 111.96 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.6 t80 -34.98 -52.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.2 mm -40.83 -54.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.5 m -38.75 -61.87 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 tp -66.55 -58.86 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -47.33 -20.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -72.57 -43.2 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.28 64.67 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 71' ' ' TRP . 21.4 m -62.0 -12.44 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.25 -28.88 68.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.7 t -81.9 -29.05 32.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 16.6 m95 -54.05 163.4 0.78 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 12.7 mtm -108.36 126.94 53.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.5 mp -117.96 143.21 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.726 HG11 ' CE2' ' A' ' 82' ' ' TYR . 48.2 t -131.7 94.11 26.34 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.8 Cg_endo -69.75 -177.62 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 62.13 50.39 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.779 HG23 ' NE2' ' A' ' 79' ' ' GLN . 3.8 mt -109.96 106.25 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -117.14 38.39 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.779 ' NE2' HG23 ' A' ' 77' ' ' ILE . 14.9 pm0 -133.97 -178.54 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -107.21 12.87 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -172.53 122.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.726 ' CE2' HG11 ' A' ' 74' ' ' VAL . 4.5 t80 -113.4 119.59 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.433 HG22 ' CD2' ' A' ' 85' ' ' HIS . 40.4 m -81.21 110.39 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -89.06 109.47 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.433 ' CD2' HG22 ' A' ' 83' ' ' THR . 29.1 m-70 -96.49 149.3 21.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.49 38.29 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.541 HD22 ' CE2' ' A' ' 93' ' ' TYR . 13.9 mt -103.44 174.79 5.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.771 0.319 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -96.49 147.01 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -81.56 143.42 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.8 48.54 61.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.0 m -140.55 144.26 35.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -72.3 147.08 46.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.541 ' CE2' HD22 ' A' ' 87' ' ' LEU . 16.3 m-85 -146.7 120.59 9.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.525 HD11 ' CD2' ' A' ' 55' ' ' PHE . 91.3 mt -91.8 133.36 33.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.886 ' CD2' HG21 ' A' ' 35' ' ' VAL . 41.5 m-85 -120.81 132.17 54.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 110' ' ' PRO . 62.9 mt -137.39 105.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.499 ' H ' HD11 ' A' ' 21' ' ' ILE . 62.8 t -83.19 137.81 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -126.81 123.19 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -93.3 126.87 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -113.08 130.69 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -136.91 -177.95 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.28 -33.66 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.869 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -70.94 -72.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.2 -143.09 3.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.427 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -134.84 145.62 48.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.1 tpt85 -131.65 108.79 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -83.79 127.99 34.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -78.09 177.37 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -75.74 151.27 84.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.605 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.6 Cg_endo -69.77 119.53 6.46 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.0 m -101.73 110.44 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -73.45 136.2 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.678 HD12 ' CD1' ' A' ' 95' ' ' PHE . 95.9 mt -140.11 154.2 46.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -130.55 135.12 47.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.788 ' CG2' HD11 ' A' ' 33' ' ' ILE . 22.2 p -84.07 172.94 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.475 ' ND2' ' HA ' ' A' ' 29' ' ' SER . 26.4 p30 -86.07 145.8 26.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.9 p -40.48 -68.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -135.17 162.6 56.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.493 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 54.1 Cg_endo -69.73 -177.67 1.97 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -65.29 108.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -82.7 122.23 27.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 m -53.08 118.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.55 114.15 6.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -5.57 16.49 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.3 p -65.71 116.89 7.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.7 m -57.87 -57.72 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -138.0 114.87 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.854 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -128.31 140.17 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -172.42 20.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m 39.26 40.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -72.61 -54.08 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.02 64.55 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -159.92 149.91 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.388 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.03 -89.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -128.34 150.63 50.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.63 44.43 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.23 166.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 13' ' ' LEU . 2.0 tm? -99.95 -40.66 7.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.616 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 15.3 t -31.58 -36.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -142.86 137.82 15.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 142.01 46.56 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -62.66 138.08 96.69 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.26 13.07 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.22 61.04 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.8 m -110.79 104.22 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.42 HG23 ' CG1' ' A' ' 35' ' ' VAL . 22.2 mt -70.05 105.51 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.546 ' HG3' HD12 ' A' ' 25' ' ' LEU . 25.8 mmm-85 -74.97 121.99 22.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -87.45 -14.31 40.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.62 -26.68 22.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 22' ' ' ARG . 28.8 mt -90.86 -27.01 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 36' ' ' HIS . 12.6 p -65.08 148.62 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -122.02 149.9 42.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -122.09 132.41 54.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -131.47 165.37 23.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' CD2' ' H ' ' A' ' 31' ' ' ASP . 7.5 p-80 -39.87 -68.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 82.0 m-20 -120.45 35.49 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.442 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -154.81 148.38 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.911 HD11 HG23 ' A' ' 115' ' ' THR . 91.3 mt -151.0 137.07 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.1 m -117.32 118.93 33.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.763 HG21 ' CD2' ' A' ' 95' ' ' PHE . 97.3 t -105.39 127.93 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 3.3 m170 -106.72 126.8 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CE3' HG21 ' A' ' 97' ' ' VAL . 18.9 p90 -117.38 132.51 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.3 tp -110.96 136.43 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.8 p -132.5 156.26 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.35 -35.13 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.33 115.09 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -103.03 13.14 34.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.06 -22.67 59.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -86.61 -39.62 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.561 HD13 ' HB1' ' A' ' 99' ' ' ALA . 62.7 mt -60.24 136.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.35 -39.9 18.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.5 p -158.71 158.42 33.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' OH ' HD12 ' A' ' 45' ' ' ILE . 10.2 m-85 -109.66 163.45 13.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.13 135.76 43.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 ' CG2' ' A' ' 84' ' ' VAL . 14.9 tp -109.3 124.4 50.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -120.2 114.69 22.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 72' ' ' MET . 25.2 p90 -130.73 145.45 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.449 HG21 ' CE2' ' A' ' 71' ' ' TRP . 5.7 t -155.83 145.21 20.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.18 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 93' ' ' TYR . 28.6 mt -72.73 125.07 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' CD2' HD11 ' A' ' 94' ' ' ILE . 30.7 t80 -108.21 114.6 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.1 p -120.14 -66.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.1 38.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -62.02 -50.39 72.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -173.18 -177.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -44.3 167.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -70.76 -67.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.6 mm -42.07 -55.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ILE . 3.8 p -38.16 -58.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' ASN . 5.6 tp -71.72 -63.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -40.0 -27.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' LEU . 12.1 t-20 -66.47 -53.86 30.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.8 m -62.89 -34.03 76.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 68' ' ' VAL . 1.4 p 32.02 35.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 67' ' ' SER . 1.7 p30 -88.26 -50.4 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' TRP . 13.6 m -66.88 -38.11 85.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.49 ' CD1' ' HA ' ' A' ' 68' ' ' VAL . 38.9 m95 -37.21 143.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 52' ' ' TYR . 3.4 mpp? -100.2 143.05 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.8 mp -130.92 142.97 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.652 ' O ' HD11 ' A' ' 77' ' ' ILE . 76.0 t -132.58 92.58 26.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 53.3 Cg_endo -69.76 178.41 4.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 62.85 53.6 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.652 HD11 ' O ' ' A' ' 74' ' ' VAL . 25.5 mt -113.66 104.48 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -113.26 40.17 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -133.7 172.72 12.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -98.27 10.29 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -171.05 126.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.606 ' CE2' HG11 ' A' ' 74' ' ' VAL . 8.8 t80 -116.3 125.52 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 m -86.77 106.57 17.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.402 ' CG2' HD21 ' A' ' 50' ' ' LEU . 57.4 t -80.64 111.79 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -97.87 147.22 24.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.65 42.8 4.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 93' ' ' TYR . 17.0 mt -104.95 -178.59 3.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.726 0.298 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -106.86 142.06 37.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.66 136.27 35.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.32 46.25 87.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.9 m -141.77 146.4 35.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -73.61 133.95 43.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.528 ' CE2' HD22 ' A' ' 87' ' ' LEU . 12.2 m-85 -134.71 119.01 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 55' ' ' PHE . 30.5 mt -90.78 138.51 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.763 ' CD2' HG21 ' A' ' 35' ' ' VAL . 71.1 m-85 -123.97 137.78 54.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 110' ' ' PRO . 39.2 mt -143.96 107.13 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.493 HG21 ' CE3' ' A' ' 37' ' ' TRP . 74.2 t -83.73 140.91 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.538 ' O ' HD12 ' A' ' 100' ' ' ILE . 12.2 ttmt -127.05 118.8 25.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.561 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -87.71 110.74 20.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 98' ' ' LYS . 5.2 mp -103.66 141.16 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -150.25 179.34 8.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -54.86 -26.6 36.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.616 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -78.77 -70.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.43 -137.07 2.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 p -147.11 149.53 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -131.96 111.1 11.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.25 126.41 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.2 t -78.82 178.56 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.35 150.84 82.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.486 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.9 Cg_endo -69.77 116.45 4.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.338 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 96.1 m -97.85 106.51 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 55.7 mtm-85 -75.9 122.41 24.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 95' ' ' PHE . 87.3 mt -125.7 160.99 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -135.09 131.56 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.911 HG23 HD11 ' A' ' 33' ' ' ILE . 13.0 p -82.32 172.74 12.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' SER . 8.4 p30 -90.44 139.47 30.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASN . 38.3 p -36.7 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.86 161.15 65.42 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.718 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.407 ' HB3' ' ND1' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.79 -0.65 7.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -62.92 153.49 33.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -107.11 109.8 21.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.4 t -113.13 146.01 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 118.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 120.08 6.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.662 2.241 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -101.79 144.24 30.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.802 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 m -160.57 176.46 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.502 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -106.18 -60.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -145.41 166.52 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.52 107.04 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -125.83 82.85 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.824 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -128.28 91.71 3.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.18 66.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.8 112.94 25.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.379 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.54 -78.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.65 118.25 25.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -97.85 41.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.651 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -107.99 136.49 47.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.744 ' O ' HD23 ' A' ' 13' ' ' LEU . 4.4 tt -130.71 -5.26 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.685 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 1.8 t -32.88 -45.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB3' HH21 ' A' ' 106' ' ' ARG . . . -136.5 142.46 39.4 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 111.082 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 128.21 15.68 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -51.0 137.13 26.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.82 16.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 167.45 24.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -125.53 107.34 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.98 119.96 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -93.07 122.06 35.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -83.64 -33.72 25.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.86 -25.18 65.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.0 mt -94.34 -27.08 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 p -71.65 144.43 49.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 33' ' ' ILE . 68.3 p -120.48 158.52 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -124.73 138.41 54.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' HIS . 5.3 t -133.82 160.8 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 6.5 p-80 -37.91 -68.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 27.0 m-20 -120.03 38.03 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.599 ' CA ' HD12 ' A' ' 87' ' ' LEU . 4.7 m -160.41 155.16 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.725 HD11 HG23 ' A' ' 115' ' ' THR . 87.1 mt -153.2 137.96 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -115.12 104.74 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -93.64 128.72 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -108.5 124.19 50.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.6 p90 -116.55 136.78 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 tp -108.01 132.56 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 p -128.86 139.34 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -78.64 -27.8 45.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -142.11 106.7 4.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.82 22.54 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.63 -42.12 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 t -75.33 -41.73 56.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -49.37 112.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -65.37 -36.33 83.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.7 p -167.13 156.89 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -101.12 155.51 17.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HG3' HG23 ' A' ' 73' ' ' ILE . 3.2 tp10 -129.71 134.77 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -106.95 135.82 47.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -131.32 116.49 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 27.9 p90 -140.09 146.38 38.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -154.59 139.12 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.712 HG22 HG23 ' A' ' 56' ' ' THR . 51.8 mt -59.3 107.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -66.02 105.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 HG22 ' A' ' 54' ' ' ILE . 38.9 p -127.61 -36.53 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.97 -116.53 4.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 44.02 24.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 64' ' ' LEU . . . -179.85 106.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 61' ' ' PHE . 9.3 m120 -33.37 124.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' C ' ' O ' ' A' ' 60' ' ' ASN . 18.0 t80 -30.67 -51.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 66' ' ' ASN . 40.6 mm -58.2 -52.78 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 60' ' ' ASN . 40.2 t -59.73 -60.0 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 59' ' ' ALA . 5.1 tp -51.23 -38.27 51.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -74.61 -30.16 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.41 ' OD1' ' HA ' ' A' ' 63' ' ' SER . 25.6 m120 -59.9 -57.15 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.9 m -80.27 46.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 71' ' ' TRP . 2.1 p -49.21 -17.99 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -43.69 -31.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' TRP . 31.3 m -79.47 -44.11 21.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.513 ' HB2' HG22 ' A' ' 68' ' ' VAL . 16.2 m95 -36.43 154.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 52' ' ' TYR . 15.0 ttm -86.21 145.96 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.444 HG23 ' HG3' ' A' ' 49' ' ' GLU . 5.4 mp -144.15 138.76 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.555 ' O ' HD11 ' A' ' 77' ' ' ILE . 76.1 t -128.72 96.32 30.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.76 -179.96 3.28 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.727 2.285 . . . . 0.0 112.304 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 63.7 54.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.555 HD11 ' O ' ' A' ' 74' ' ' VAL . 59.0 mt -113.7 110.62 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -122.3 42.97 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 82' ' ' TYR . 13.1 pt20 -141.45 163.81 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.81 13.44 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -171.59 122.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 6.2 t80 -115.5 126.54 54.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.5 m -89.23 117.32 28.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.406 HG11 ' CE2' ' A' ' 52' ' ' TYR . 57.4 t -91.13 111.95 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -95.31 149.57 21.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.23 41.91 5.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.599 HD12 ' CA ' ' A' ' 32' ' ' THR . 45.6 mt -100.55 -174.88 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -110.1 136.06 49.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 117' ' ' SER . 3.3 m -73.21 134.46 44.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.23 60.35 8.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -151.64 144.6 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 111.157 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -71.86 146.69 47.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.54 ' CZ ' HG12 ' A' ' 54' ' ' ILE . 8.8 m-85 -147.17 116.67 7.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.2 mt -91.58 118.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.136 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' A' ' 113' ' ' LEU . 75.0 m-85 -107.83 139.96 41.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 110' ' ' PRO . 21.3 mt -144.11 105.87 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.52 136.49 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' HE3' HD11 ' A' ' 100' ' ' ILE . 28.9 ttpt -132.05 113.48 13.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.49 144.95 41.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.414 HD11 ' HE3' ' A' ' 98' ' ' LYS . 17.8 mt -131.8 135.18 59.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -146.01 167.48 23.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -42.08 -38.88 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 14' ' ' THR . . . -65.65 -71.33 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -160.01 -135.07 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.6 m -155.43 152.09 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.569 HH21 ' HB3' ' A' ' 15' ' ' ALA . 5.5 tpp180 -135.15 125.89 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -95.08 134.83 37.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -85.71 177.11 7.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.01 151.45 86.24 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.723 0.773 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HB3' HD11 ' A' ' 96' ' ' ILE . 54.1 Cg_endo -69.75 122.38 9.06 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.8 m -105.49 107.41 18.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -73.91 120.13 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' A' ' 95' ' ' PHE . 31.0 mt -127.98 160.99 30.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -135.6 150.06 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.725 HG23 HD11 ' A' ' 33' ' ' ILE . 24.1 p -95.59 167.59 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -74.28 163.18 28.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 89' ' ' SER . 7.0 t -58.01 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -136.09 158.42 73.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.3 Cg_endo -69.82 -62.3 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.71 2.273 . . . . 0.0 112.304 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.41 ' H ' ' HG2' ' A' ' 119' ' ' PRO . 9.9 m-85 -123.1 158.56 30.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 122' ' ' SER . 3.1 tmtt? -119.48 110.81 17.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 121' ' ' LYS . 6.1 m -34.31 141.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.839 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.92 118.47 3.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.45 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 5.57 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -137.35 167.58 21.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -110.09 97.06 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -53.88 -48.11 70.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -118.61 42.42 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.32 -63.34 2.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -125.29 146.33 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -108.81 119.96 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 -153.43 16.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -98.64 172.46 7.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.838 0.351 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.07 -129.96 2.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 mt -146.23 143.76 29.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -118.28 -9.78 10.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.613 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.42 -167.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.613 ' N ' ' CD2' ' A' ' 12' ' ' TYR . 1.4 tt -73.0 45.13 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -57.02 -24.74 55.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -172.66 161.03 3.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.523 0.677 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.76 147.47 62.91 Favored 'Trans proline' 0 C--N 1.34 0.121 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -67.33 137.48 93.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 124.97 11.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.585 ' HG3' HG12 ' A' ' 97' ' ' VAL . 54.2 Cg_endo -69.78 150.78 68.58 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.381 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.441 ' HB2' HG23 ' A' ' 38' ' ' ILE . 1.9 m -105.74 104.87 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.49 HD11 ' H ' ' A' ' 97' ' ' VAL . 64.4 mt -71.68 106.53 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -76.96 104.33 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' CG ' HG23 ' A' ' 111' ' ' THR . 59.5 mt-10 -69.66 -35.25 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -62.28 -35.86 80.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.6 mt -84.82 -23.61 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.6 m -57.92 159.55 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.8 p -142.94 140.65 31.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.827 ' HB1' ' HA ' ' A' ' 115' ' ' THR . . . -116.16 138.63 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -129.63 164.35 24.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.498 ' CG ' ' HB3' ' A' ' 119' ' ' PRO . 24.4 p-80 -44.65 -58.31 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CG ' ' CD2' ' A' ' 30' ' ' HIS . 31.9 p30 -127.15 35.12 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.422 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -157.91 153.78 26.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.864 HD11 HG23 ' A' ' 115' ' ' THR . 66.1 mt -152.98 129.7 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -113.18 118.78 35.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 ' CG ' ' A' ' 95' ' ' PHE . 53.1 t -101.39 136.66 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -113.93 123.47 49.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 27.3 p90 -118.99 133.74 55.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.441 HG23 ' HB2' ' A' ' 20' ' ' SER . 2.2 tp -109.39 135.26 48.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -138.67 143.39 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -84.97 -41.2 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.98 94.09 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 21.06 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -81.88 -30.38 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -81.68 -41.02 21.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.548 HD13 ' HB1' ' A' ' 99' ' ' ALA . 74.6 mt -46.84 113.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 t -63.56 -31.72 72.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.3 p -172.31 158.67 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -101.27 163.78 12.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' CD ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -140.34 125.8 18.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 ' N ' ' CD ' ' A' ' 49' ' ' GLU . 13.5 tp -101.62 118.21 36.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' CG ' ' OE1' ' A' ' 49' ' ' GLU . 69.2 mt-30 -111.91 114.0 26.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.499 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 10.2 p90 -128.86 158.1 39.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.665 HG21 ' CE2' ' A' ' 71' ' ' TRP . 13.3 t -162.49 146.99 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.633 HG22 HG22 ' A' ' 56' ' ' THR . 37.1 mt -72.02 120.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CZ ' ' NH2' ' A' ' 112' ' ' ARG . 49.6 t80 -97.26 105.15 17.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.633 HG22 HG22 ' A' ' 54' ' ' ILE . 1.1 t -149.2 152.8 36.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.094 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 34.41 80.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -147.15 109.0 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.934 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.08 73.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.2 p-10 -147.82 129.02 14.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 37.2 t80 -37.12 -50.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 45.4 mm -39.13 -61.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.0 t -42.72 -43.99 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.93 -64.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.822 ' O ' HG23 ' A' ' 68' ' ' VAL . 5.7 t80 -46.92 -20.9 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -60.02 -54.83 41.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.2 m -88.5 48.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 65' ' ' TYR . 2.2 t -50.94 -23.0 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.95 -17.79 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -87.98 -36.47 17.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.665 ' CE2' HG21 ' A' ' 53' ' ' THR . 12.1 m95 -39.28 159.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.45 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.5 mpp? -96.07 155.56 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.641 HG23 ' CD ' ' A' ' 49' ' ' GLU . 5.3 mp -141.52 138.31 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.466 HG11 ' CZ ' ' A' ' 82' ' ' TYR . 86.0 t -134.35 92.33 20.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 74' ' ' VAL . 54.0 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.647 2.232 . . . . 0.0 112.394 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 63.39 46.53 4.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.426 HD11 ' O ' ' A' ' 74' ' ' VAL . 15.3 mt -109.44 100.45 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -110.26 37.38 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -133.38 174.85 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.436 ' HA ' ' NE1' ' A' ' 37' ' ' TRP . 8.7 m120 -96.47 -2.5 45.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -158.72 122.29 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' CZ ' HG11 ' A' ' 74' ' ' VAL . 23.1 t80 -115.05 124.8 52.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -87.46 118.43 26.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.8 t -92.16 119.54 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -104.66 145.32 30.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.48 45.85 2.26 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.609 HD22 ' CE1' ' A' ' 93' ' ' TYR . 13.6 mt -111.19 177.28 4.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -103.32 140.56 37.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.59 144.49 37.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 60.89 43.37 99.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -141.53 144.58 34.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -71.77 150.01 44.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.609 ' CE1' HD22 ' A' ' 87' ' ' LEU . 13.3 m-85 -149.48 115.9 5.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 79.2 mt -90.35 143.91 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.794 ' CD2' HD12 ' A' ' 113' ' ' LEU . 97.6 m-85 -131.49 142.16 49.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.848 HG21 ' OD1' ' A' ' 107' ' ' ASN . 86.0 mt -145.11 108.77 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.585 HG12 ' HG3' ' A' ' 19' ' ' PRO . 97.1 t -83.46 121.46 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -117.09 110.71 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.548 ' HB1' HD13 ' A' ' 45' ' ' ILE . . . -76.79 135.8 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -119.04 134.49 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 101' ' ' ASN . 42.3 p30 -140.69 -175.36 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.465 ' O ' ' NE2' ' A' ' 102' ' ' GLN . 18.8 tp60 -57.76 -35.53 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 101' ' ' ASN . . . -69.58 -72.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.23 -134.01 1.61 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 93.2 p -142.47 149.82 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 tpt85 -129.74 107.18 9.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.848 ' OD1' HG21 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -83.21 131.97 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 90.5 p -85.34 178.38 7.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.75 150.98 86.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.505 ' HB3' HD11 ' A' ' 96' ' ' ILE . 53.1 Cg_endo -69.81 116.74 4.71 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.53 HG23 ' CG ' ' A' ' 23' ' ' GLU . 52.0 m -96.41 107.71 20.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.411 ' NH2' ' CZ ' ' A' ' 55' ' ' PHE . 10.3 mmt85 -73.51 126.47 30.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.794 HD12 ' CD2' ' A' ' 95' ' ' PHE . 71.1 mt -135.93 146.97 47.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 17.1 mtpt -120.69 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.864 HG23 HD11 ' A' ' 33' ' ' ILE . 20.0 p -82.93 158.16 22.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 28' ' ' ALA . 24.1 m-80 -66.01 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 116' ' ' ASN . 34.4 t -33.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.48 ' CG ' ' HD2' ' A' ' 119' ' ' PRO . 14.6 tt0 -134.98 139.82 33.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.498 ' HB3' ' CG ' ' A' ' 30' ' ' HIS . 53.6 Cg_endo -69.75 -177.16 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.01 141.69 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.26 125.3 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.9 p -74.14 114.07 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.39 -151.88 23.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 3.12 2.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.5 t -40.62 -42.49 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 59.5 p -159.6 144.88 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.986 . . . . . . . . 0 0 . 1 stop_ save_